1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

C22H38N4O2 — CID 55738952

IUPAC1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESCC1CC(C)CN(CCCNC(=O)NCC(c2ccco2)N2CCCCC2)C1
InChIInChI=1S/C22H38N4O2/c1-18-14-19(2)17-25(16-18)10-7-9-23-22(27)24-15-20(21-8-6-13-28-21)26-11-4-3-5-12-26/h6,8,13,18-20H,3-5,7,9-12,14-17H2,1-2H3,(H2,23,24,27)
InChIKeySSCDYROUZAQROP-UHFFFAOYSA-N
MW390.57 g/mol
LogP3.47
Rot. Bonds8

About 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (PubChem CID 55738952) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
PubChem CID55738952
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESCC1CC(C)CN(CCCNC(=O)NCC(c2ccco2)N2CCCCC2)C1
InChIInChI=1S/C22H38N4O2/c1-18-14-19(2)17-25(16-18)10-7-9-23-22(27)24-15-20(21-8-6-13-28-21)26-11-4-3-5-12-26/h6,8,13,18-20H,3-5,7,9-12,14-17H2,1-2H3,(H2,23,24,27)
InChIKeySSCDYROUZAQROP-UHFFFAOYSA-N
XLogP3.47
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 94017524
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110896232
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51330775
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
2-chloro-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40860527
1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 51116327
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94172073
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (CID 55738952) is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is CC1CC(C)CN(CCCNC(=O)NCC(c2ccco2)N2CCCCC2)C1.
What is the InChIKey of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The InChIKey is SSCDYROUZAQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-18-14-19(2)17-25(16-18)10-7-9-23-22(27)24-15-20(21-8-6-13-28-21)26-11-4-3-5-12-26/h6,8,13,18-20H,3-5,7,9-12,14-17H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea has a molecular weight of 390.57 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 55738952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).