(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one

C18H31N3O2 — CID 95143555

IUPAC(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCN1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1=O
InChIInChI=1S/C18H31N3O2/c1-19-8-7-16(13-17(19)22)18(23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3/t16-/m1/s1
InChIKeyAVDONIJRNUPFBT-MRXNPFEDSA-N
MW321.47 g/mol
LogP1.58
Rot. Bonds3

About (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one

(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one (PubChem CID 95143555) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
PubChem CID95143555
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCN1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1=O
InChIInChI=1S/C18H31N3O2/c1-19-8-7-16(13-17(19)22)18(23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3/t16-/m1/s1
InChIKeyAVDONIJRNUPFBT-MRXNPFEDSA-N
XLogP1.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 95613767
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
1-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 56812349
1-methyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 56812611
(3-aminocyclohexyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 119859687
4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 136549408
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523
tert-butyl 4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 174199243
2-[4-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 94114980
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521272

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
The IUPAC name of (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one (CID 95143555) is (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one.
What is the SMILES notation for (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
The canonical SMILES for (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one is CN1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1=O.
What is the InChIKey of (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
The InChIKey is AVDONIJRNUPFBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-19-8-7-16(13-17(19)22)18(23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one has a molecular weight of 321.47 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 95143555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).