1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea

C21H26ClN3O3 — CID 20908125

IUPAC1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCC(=O)N1CCC(N(Cc2ccc(C)o2)C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H26ClN3O3/c1-14-4-6-17(22)12-20(14)23-21(27)25(13-19-7-5-15(2)28-19)18-8-10-24(11-9-18)16(3)26/h4-7,12,18H,8-11,13H2,1-3H3,(H,23,27)
InChIKeyWAMFIKRBEPIVAZ-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.59
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea

1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 20908125) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID20908125
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCC(=O)N1CCC(N(Cc2ccc(C)o2)C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H26ClN3O3/c1-14-4-6-17(22)12-20(14)23-21(27)25(13-19-7-5-15(2)28-19)18-8-10-24(11-9-18)16(3)26/h4-7,12,18H,8-11,13H2,1-3H3,(H,23,27)
InChIKeyWAMFIKRBEPIVAZ-UHFFFAOYSA-N
XLogP4.59
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908150
3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 151198154
1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908002
3-[acetyl(cyclopropyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113115433
1-(1-acetylpiperidin-4-yl)-3-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908019
(4aR,8aR)-N-(5-chloro-2-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944871
3-(2-ethylphenyl)-1-[(5-methylfuran-2-yl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 17383976
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 109046500
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810265
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798621

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea (CID 20908125) is 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea is CC(=O)N1CCC(N(Cc2ccc(C)o2)C(=O)Nc2cc(Cl)ccc2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is WAMFIKRBEPIVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-14-4-6-17(22)12-20(14)23-21(27)25(13-19-7-5-15(2)28-19)18-8-10-24(11-9-18)16(3)26/h4-7,12,18H,8-11,13H2,1-3H3,(H,23,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 403.91 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 20908125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).