1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea

C20H31N3O2 — CID 110892524

IUPAC1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCc1cccc(CN2CCC(NC(=O)NC3CCC(O)CC3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-15-3-2-4-16(13-15)14-23-11-9-18(10-12-23)22-20(25)21-17-5-7-19(24)8-6-17/h2-4,13,17-19,24H,5-12,14H2,1H3,(H2,21,22,25)
InChIKeyNHQNBKWOKXTXKM-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea

1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea (PubChem CID 110892524) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
PubChem CID110892524
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCc1cccc(CN2CCC(NC(=O)NC3CCC(O)CC3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-15-3-2-4-16(13-15)14-23-11-9-18(10-12-23)22-20(25)21-17-5-7-19(24)8-6-17/h2-4,13,17-19,24H,5-12,14H2,1H3,(H2,21,22,25)
InChIKeyNHQNBKWOKXTXKM-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

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 100660209
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea (CID 110892524) is 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea is Cc1cccc(CN2CCC(NC(=O)NC3CCC(O)CC3)CC2)c1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
The InChIKey is NHQNBKWOKXTXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-3-2-4-16(13-15)14-23-11-9-18(10-12-23)22-20(25)21-17-5-7-19(24)8-6-17/h2-4,13,17-19,24H,5-12,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea 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 1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 110892524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).