1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea

C20H36N4O2 — CID 60601131

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCC(=O)N1CCCC1)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H36N4O2/c25-19(24-12-4-5-13-24)8-11-21-20(26)22-18-9-14-23(15-10-18)16-17-6-2-1-3-7-17/h17-18H,1-16H2,(H2,21,22,26)
InChIKeyKNEGDCHDOJKVGI-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.34
Rot. Bonds6

About 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea (PubChem CID 60601131) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
PubChem CID60601131
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCC(=O)N1CCCC1)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H36N4O2/c25-19(24-12-4-5-13-24)8-11-21-20(26)22-18-9-14-23(15-10-18)16-17-6-2-1-3-7-17/h17-18H,1-16H2,(H2,21,22,26)
InChIKeyKNEGDCHDOJKVGI-UHFFFAOYSA-N
XLogP2.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea
CID 18152043
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
CID 18152913
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide
CID 84595006
1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119378516
[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea
CID 71861034

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea (CID 60601131) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea is O=C(NCCC(=O)N1CCCC1)NC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is KNEGDCHDOJKVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c25-19(24-12-4-5-13-24)8-11-21-20(26)22-18-9-14-23(15-10-18)16-17-6-2-1-3-7-17/h17-18H,1-16H2,(H2,21,22,26).
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 364.53 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 60601131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).