1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one

C17H31N3O — CID 120844533

IUPAC1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCC1CCCC(CN2CCCC(N3CCNCC3=O)C2)C1
InChIInChI=1S/C17H31N3O/c1-14-4-2-5-15(10-14)12-19-8-3-6-16(13-19)20-9-7-18-11-17(20)21/h14-16,18H,2-13H2,1H3
InChIKeyGWUYRCFDHPRPNN-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds3

About 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one

1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one (PubChem CID 120844533) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
PubChem CID120844533
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCC1CCCC(CN2CCCC(N3CCNCC3=O)C2)C1
InChIInChI=1S/C17H31N3O/c1-14-4-2-5-15(10-14)12-19-8-3-6-16(13-19)20-9-7-18-11-17(20)21/h14-16,18H,2-13H2,1H3
InChIKeyGWUYRCFDHPRPNN-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one
CID 120844655
1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844641
1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one
CID 120844635
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one
CID 120844579
1-[(3-methylcyclopentyl)methyl]piperazin-2-one
CID 107415470
1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one
CID 67085330
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844613
1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844531
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
CID 120983046
1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one (CID 120844533) is 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one is CC1CCCC(CN2CCCC(N3CCNCC3=O)C2)C1.
What is the InChIKey of 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is GWUYRCFDHPRPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-4-2-5-15(10-14)12-19-8-3-6-16(13-19)20-9-7-18-11-17(20)21/h14-16,18H,2-13H2,1H3.
What are the key properties of 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one?
1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 293.45 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).