[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

C20H33N5O — CID 97202242

IUPAC[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)[C@H]2CCCN(C3CCCC3)C2)CC1
InChIInChI=1S/C20H33N5O/c1-22-10-8-21-19(22)16-23-11-13-24(14-12-23)20(26)17-5-4-9-25(15-17)18-6-2-3-7-18/h8,10,17-18H,2-7,9,11-16H2,1H3/t17-/m0/s1
InChIKeyQAQWWWCGPFUWJI-KRWDZBQOSA-N
MW359.52 g/mol
LogP1.72
Rot. Bonds4

About [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 97202242) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID97202242
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)[C@H]2CCCN(C3CCCC3)C2)CC1
InChIInChI=1S/C20H33N5O/c1-22-10-8-21-19(22)16-23-11-13-24(14-12-23)20(26)17-5-4-9-25(15-17)18-6-2-3-7-18/h8,10,17-18H,2-7,9,11-16H2,1H3/t17-/m0/s1
InChIKeyQAQWWWCGPFUWJI-KRWDZBQOSA-N
XLogP1.72
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone 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

[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45247244
[(3R)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95220320
(3R)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96581071
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
CID 45215310
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
[(3R,5R)-1-[(1-methylimidazol-2-yl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56853154
N,N-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127245439
9-methyl-2-[(1-methylimidazol-2-yl)methyl]-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 131658712
(4-benzylsulfonylpiperazin-1-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 112838699

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (CID 97202242) is [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is Cn1ccnc1CN1CCN(C(=O)[C@H]2CCCN(C3CCCC3)C2)CC1.
What is the InChIKey of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is QAQWWWCGPFUWJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N5O/c1-22-10-8-21-19(22)16-23-11-13-24(14-12-23)20(26)17-5-4-9-25(15-17)18-6-2-3-7-18/h8,10,17-18H,2-7,9,11-16H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 359.52 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 97202242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).