1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea

C64H84N12O9S — CID 134227204

IUPAC1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea
SMILESCOc1cccc(OC)c1C(=O)N1CCC(CCCCNC(=O)Nc2ccncc2)CC1.O=C(NCCCCC1CCN(C(=O)c2ccco2)CC1)Nc1ccncc1.O=C(NCCCCC1CCN(C(=O)c2cccs2)CC1)Nc1ccncc1
InChIInChI=1S/C24H32N4O4.C20H26N4O3.C20H26N4O2S/c1-31-20-7-5-8-21(32-2)22(20)23(29)28-16-11-18(12-17-28)6-3-4-13-26-24(30)27-19-9-14-25-15-10-19;2*25-19(18-5-3-15-27-18)24-13-8-16(9-14-24)4-1-2-10-22-20(26)23-17-6-11-21-12-7-17/h5,7-10,14-15,18H,3-4,6,11-13,16-17H2,1-2H3,(H2,25,26,27,30);2*3,5-7,11-12,15-16H,1-2,4,8-10,13-14H2,(H2,21,22,23,26)
InChIKeyWSKZUUQOLDOFNZ-UHFFFAOYSA-N
MW1197.52 g/mol
LogP11.45
Rot. Bonds23

About 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea

1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea (PubChem CID 134227204) has the molecular formula C64H84N12O9S and a molecular weight of 1197.52 g/mol. Its IUPAC name is 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea.

Molecular Properties

Compound Name1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea
PubChem CID134227204
Molecular FormulaC64H84N12O9S
Molecular Weight1197.52 g/mol
Exact Mass1196.62
IUPAC Name1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea
SMILESCOc1cccc(OC)c1C(=O)N1CCC(CCCCNC(=O)Nc2ccncc2)CC1.O=C(NCCCCC1CCN(C(=O)c2ccco2)CC1)Nc1ccncc1.O=C(NCCCCC1CCN(C(=O)c2cccs2)CC1)Nc1ccncc1
InChIInChI=1S/C24H32N4O4.C20H26N4O3.C20H26N4O2S/c1-31-20-7-5-8-21(32-2)22(20)23(29)28-16-11-18(12-17-28)6-3-4-13-26-24(30)27-19-9-14-25-15-10-19;2*25-19(18-5-3-15-27-18)24-13-8-16(9-14-24)4-1-2-10-22-20(26)23-17-6-11-21-12-7-17/h5,7-10,14-15,18H,3-4,6,11-13,16-17H2,1-2H3,(H2,25,26,27,30);2*3,5-7,11-12,15-16H,1-2,4,8-10,13-14H2,(H2,21,22,23,26)
InChIKeyWSKZUUQOLDOFNZ-UHFFFAOYSA-N
XLogP11.45
TPSA254.59 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001197.52
LogP ≤ 511.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea with MolForge

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Related Compounds

furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
1-cyano-2-[5-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]pentyl]-3-pyridin-4-ylguanidine
CID 168813843
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea
CID 168813877
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110411430
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea?
The IUPAC name of 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea (CID 134227204) is 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea.
What is the SMILES notation for 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea?
The canonical SMILES for 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea is COc1cccc(OC)c1C(=O)N1CCC(CCCCNC(=O)Nc2ccncc2)CC1.O=C(NCCCCC1CCN(C(=O)c2ccco2)CC1)Nc1ccncc1.O=C(NCCCCC1CCN(C(=O)c2cccs2)CC1)Nc1ccncc1.
What is the InChIKey of 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea?
The InChIKey is WSKZUUQOLDOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4.C20H26N4O3.C20H26N4O2S/c1-31-20-7-5-8-21(32-2)22(20)23(29)28-16-11-18(12-17-28)6-3-4-13-26-24(30)27-19-9-14-25-15-10-19;2*25-19(18-5-3-15-27-18)24-13-8-16(9-14-24)4-1-2-10-22-20(26)23-17-6-11-21-12-7-17/h5,7-10,14-15,18H,3-4,6,11-13,16-17H2,1-2H3,(H2,25,26,27,30);2*3,5-7,11-12,15-16H,1-2,4,8-10,13-14H2,(H2,21,22,23,26).
What are the key properties of 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea?
1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea has a molecular weight of 1197.52 g/mol, XLogP of 11.45, 23 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-[4-[1-(furan-2-carbonyl)piperidin-4-yl]butyl]-3-pyridin-4-ylurea;1-pyridin-4-yl-3-[4-[1-(thiophene-2-carbonyl)piperidin-4-yl]butyl]urea is sourced from PubChem (CID 134227204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).