1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one

C18H34N2O — CID 176796740

IUPAC1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
SMILESCC(C)CCN1CCN(C2CCC(C(C)C)CC2)CC1=O
InChIInChI=1S/C18H34N2O/c1-14(2)9-10-19-11-12-20(13-18(19)21)17-7-5-16(6-8-17)15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyKLXXVDNWQRWXOT-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.39
Rot. Bonds5

About 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one

1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one (PubChem CID 176796740) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
PubChem CID176796740
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
SMILESCC(C)CCN1CCN(C2CCC(C(C)C)CC2)CC1=O
InChIInChI=1S/C18H34N2O/c1-14(2)9-10-19-11-12-20(13-18(19)21)17-7-5-16(6-8-17)15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyKLXXVDNWQRWXOT-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-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

4-amino-1-(3-methylbutyl)piperidin-2-one
CID 83636424
1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
CID 164595271
1-butyl-4-[(3S)-oxolan-3-yl]piperazin-2-one
CID 164632944
1-(3-methylbutyl)piperidine-2,5-dione
CID 83696753
4-(3-methylbutyl)morpholin-3-one
CID 58222536
1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
CID 164926799
1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one
CID 21050526
2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
3-hydroxy-1-(3-methylbutyl)piperidin-2-one
CID 117014091
2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 130774971

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one?
The IUPAC name of 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one (CID 176796740) is 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one.
What is the SMILES notation for 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one?
The canonical SMILES for 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one is CC(C)CCN1CCN(C2CCC(C(C)C)CC2)CC1=O.
What is the InChIKey of 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one?
The InChIKey is KLXXVDNWQRWXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)9-10-19-11-12-20(13-18(19)21)17-7-5-16(6-8-17)15(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one?
1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one has a molecular weight of 294.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one is sourced from PubChem (CID 176796740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).