(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone

C28H38N4O2 — CID 42867590

IUPAC(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(C2CCN(Cc3ccccc3O)CC2)n1
InChIInChI=1S/C28H38N4O2/c1-21-10-11-25(28(34)32-18-16-31(17-19-32)24-7-3-4-8-24)27(29-21)22-12-14-30(15-13-22)20-23-6-2-5-9-26(23)33/h2,5-6,9-11,22,24,33H,3-4,7-8,12-20H2,1H3
InChIKeyIXUUYXDDVLQFHN-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.18
Rot. Bonds5

About (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone

(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone (PubChem CID 42867590) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
PubChem CID42867590
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(C2CCN(Cc3ccccc3O)CC2)n1
InChIInChI=1S/C28H38N4O2/c1-21-10-11-25(28(34)32-18-16-31(17-19-32)24-7-3-4-8-24)27(29-21)22-12-14-30(15-13-22)20-23-6-2-5-9-26(23)33/h2,5-6,9-11,22,24,33H,3-4,7-8,12-20H2,1H3
InChIKeyIXUUYXDDVLQFHN-UHFFFAOYSA-N
XLogP4.18
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide
CID 42868312
[2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 42867580
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 42867449
N,N,6-trimethyl-2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 42867509
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[6-methyl-2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-3-pyridinyl]methanone
CID 92998327
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone (CID 42867590) is (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone is Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(C2CCN(Cc3ccccc3O)CC2)n1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The InChIKey is IXUUYXDDVLQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-21-10-11-25(28(34)32-18-16-31(17-19-32)24-7-3-4-8-24)27(29-21)22-12-14-30(15-13-22)20-23-6-2-5-9-26(23)33/h2,5-6,9-11,22,24,33H,3-4,7-8,12-20H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone has a molecular weight of 462.64 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 42867590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).