1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea

C19H29N3O2 — CID 111631043

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
SMILESO=C(NC1CCCN(c2ccccc2)C1)NC1CCCCC1CO
InChIInChI=1S/C19H29N3O2/c23-14-15-7-4-5-11-18(15)21-19(24)20-16-8-6-12-22(13-16)17-9-2-1-3-10-17/h1-3,9-10,15-16,18,23H,4-8,11-14H2,(H2,20,21,24)
InChIKeyCKMIKAJDRJBWLQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea

1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea (PubChem CID 111631043) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
PubChem CID111631043
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
SMILESO=C(NC1CCCN(c2ccccc2)C1)NC1CCCCC1CO
InChIInChI=1S/C19H29N3O2/c23-14-15-7-4-5-11-18(15)21-19(24)20-16-8-6-12-22(13-16)17-9-2-1-3-10-17/h1-3,9-10,15-16,18,23H,4-8,11-14H2,(H2,20,21,24)
InChIKeyCKMIKAJDRJBWLQ-UHFFFAOYSA-N
XLogP2.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylpiperidin-3-yl)urea
CID 121416777
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631108
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea (CID 111631043) is 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea is O=C(NC1CCCN(c2ccccc2)C1)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea?
The InChIKey is CKMIKAJDRJBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-14-15-7-4-5-11-18(15)21-19(24)20-16-8-6-12-22(13-16)17-9-2-1-3-10-17/h1-3,9-10,15-16,18,23H,4-8,11-14H2,(H2,20,21,24).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea is sourced from PubChem (CID 111631043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).