1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile

C18H28N4O2 — CID 97342797

IUPAC1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCC(C)N1CCC[C@H](N2CCN(C(=O)C3(C#N)CCC3)CC2)C1=O
InChIInChI=1S/C18H28N4O2/c1-14(2)22-8-3-5-15(16(22)23)20-9-11-21(12-10-20)17(24)18(13-19)6-4-7-18/h14-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyQALVFBVVJWHGPJ-HNNXBMFYSA-N
MW332.45 g/mol
LogP1.22
Rot. Bonds3

About 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile

1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 97342797) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID97342797
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCC(C)N1CCC[C@H](N2CCN(C(=O)C3(C#N)CCC3)CC2)C1=O
InChIInChI=1S/C18H28N4O2/c1-14(2)22-8-3-5-15(16(22)23)20-9-11-21(12-10-20)17(24)18(13-19)6-4-7-18/h14-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyQALVFBVVJWHGPJ-HNNXBMFYSA-N
XLogP1.22
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile 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

1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342865
4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide
CID 97344495
(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319544
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one
CID 167894823
(3R)-3-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97342786
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 119919554
1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80592692
3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 75468323
(3R)-3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319570
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbonitrile
CID 79078849

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile (CID 97342797) is 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile is CC(C)N1CCC[C@H](N2CCN(C(=O)C3(C#N)CCC3)CC2)C1=O.
What is the InChIKey of 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is QALVFBVVJWHGPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)22-8-3-5-15(16(22)23)20-9-11-21(12-10-20)17(24)18(13-19)6-4-7-18/h14-15H,3-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 332.45 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 97342797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).