3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea

C20H31N3O2 — CID 141100662

IUPAC3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea
SMILESCc1ccccc1CN(C(=O)NC1CCC(O)CC1)C1CCNCC1
InChIInChI=1S/C20H31N3O2/c1-15-4-2-3-5-16(15)14-23(18-10-12-21-13-11-18)20(25)22-17-6-8-19(24)9-7-17/h2-5,17-19,21,24H,6-14H2,1H3,(H,22,25)
InChIKeyQIZYWLNEJYVWRA-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.56
Rot. Bonds4

About 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea

3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea (PubChem CID 141100662) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea
PubChem CID141100662
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea
SMILESCc1ccccc1CN(C(=O)NC1CCC(O)CC1)C1CCNCC1
InChIInChI=1S/C20H31N3O2/c1-15-4-2-3-5-16(15)14-23(18-10-12-21-13-11-18)20(25)22-17-6-8-19(24)9-7-17/h2-5,17-19,21,24H,6-14H2,1H3,(H,22,25)
InChIKeyQIZYWLNEJYVWRA-UHFFFAOYSA-N
XLogP2.56
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 468423
(4R,5R)-1,3,4-tribenzyl-5-hydroxy-hexahydropyrimidin-2-one
CID 468425
(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(1-hydroxy-2-phenylethyl)-1,3-diazinan-2-one
CID 5327552
1-(4-Hydroxycyclohexyl)-3-(4-phenylbutyl)urea
CID 154665770
(5S)-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-N-piperidin-4-yl-2H-pyrrole-1-carboxamide
CID 24905912
(5S)-3-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-1-ium-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 44629684
3-(hydroxymethyl)-N-(2-methylbenzyl)piperidine-1-carboxamide
CID 24748434
3-[(1S)-1-(4-chlorophenyl)ethyl]-9-hydroxy-1,3-diazaspiro[5.5]undecan-2-one
CID 56595806
1-[(4-Fluorophenyl)methyl]-3-[[4-(2-hydroxy-3-methylbutyl)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 169490288
N-benzyl-4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxamide
CID 16190976
(RS)-3-(hydroxymethyl)-N-(1-phenylethyl)piperidine-1-carboxamide
CID 24748400

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea?
The IUPAC name of 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea (CID 141100662) is 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea is Cc1ccccc1CN(C(=O)NC1CCC(O)CC1)C1CCNCC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea?
The InChIKey is QIZYWLNEJYVWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-4-2-3-5-16(15)14-23(18-10-12-21-13-11-18)20(25)22-17-6-8-19(24)9-7-17/h2-5,17-19,21,24H,6-14H2,1H3,(H,22,25).
What are the key properties of 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea?
3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea has a molecular weight of 345.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea is sourced from PubChem (CID 141100662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).