1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea

C16H29N3O3 — CID 164639080

IUPAC1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
SMILESCC(=O)N1CCC[C@H](CNC(=O)NC2CCC(CO)CC2)C1
InChIInChI=1S/C16H29N3O3/c1-12(21)19-8-2-3-14(10-19)9-17-16(22)18-15-6-4-13(11-20)5-7-15/h13-15,20H,2-11H2,1H3,(H2,17,18,22)/t13?,14-,15?/m1/s1
InChIKeyRCGJRSBYPSFTAZ-SHARSMKWSA-N
MW311.43 g/mol
LogP1.10
Rot. Bonds4

About 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea

1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea (PubChem CID 164639080) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
PubChem CID164639080
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
SMILESCC(=O)N1CCC[C@H](CNC(=O)NC2CCC(CO)CC2)C1
InChIInChI=1S/C16H29N3O3/c1-12(21)19-8-2-3-14(10-19)9-17-16(22)18-15-6-4-13(11-20)5-7-15/h13-15,20H,2-11H2,1H3,(H2,17,18,22)/t13?,14-,15?/m1/s1
InChIKeyRCGJRSBYPSFTAZ-SHARSMKWSA-N
XLogP1.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea with MolForge

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Related Compounds

1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 86882343
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-(1-acetylpiperidin-4-yl)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 95159121
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 115270084
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 4888703

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea (CID 164639080) is 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea is CC(=O)N1CCC[C@H](CNC(=O)NC2CCC(CO)CC2)C1.
What is the InChIKey of 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is RCGJRSBYPSFTAZ-SHARSMKWSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(21)19-8-2-3-14(10-19)9-17-16(22)18-15-6-4-13(11-20)5-7-15/h13-15,20H,2-11H2,1H3,(H2,17,18,22)/t13?,14-,15?/m1/s1.
What are the key properties of 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea?
1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 311.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 164639080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).