cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone

C28H42N4O2 — CID 42867399

IUPACcyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)c(C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C28H42N4O2/c1-21-9-10-25(28(34)32-19-13-24(14-20-32)30-15-5-2-6-16-30)26(29-21)22-11-17-31(18-12-22)27(33)23-7-3-4-8-23/h9-10,22-24H,2-8,11-20H2,1H3
InChIKeyPRTARCHLQIJYNI-UHFFFAOYSA-N
MW466.67 g/mol
LogP4.38
Rot. Bonds4

About cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone

cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 42867399) has the molecular formula C28H42N4O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID42867399
Molecular FormulaC28H42N4O2
Molecular Weight466.67 g/mol
Exact Mass466.33
IUPAC Namecyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)c(C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C28H42N4O2/c1-21-9-10-25(28(34)32-19-13-24(14-20-32)30-15-5-2-6-16-30)26(29-21)22-11-17-31(18-12-22)27(33)23-7-3-4-8-23/h9-10,22-24H,2-8,11-20H2,1H3
InChIKeyPRTARCHLQIJYNI-UHFFFAOYSA-N
XLogP4.38
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 42867449
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 42867590
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
[4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 42868099
(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
CID 138058681

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 42867399) is cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)c(C2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is PRTARCHLQIJYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O2/c1-21-9-10-25(28(34)32-19-13-24(14-20-32)30-15-5-2-6-16-30)26(29-21)22-11-17-31(18-12-22)27(33)23-7-3-4-8-23/h9-10,22-24H,2-8,11-20H2,1H3.
What are the key properties of cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 466.67 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42867399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).