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

C25H30ClN3O2 — CID 42852078

IUPAC(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C25H30ClN3O2/c1-17-9-13-29(14-10-17)25(31)22-8-3-18(2)27-23(22)19-11-15-28(16-12-19)24(30)20-4-6-21(26)7-5-20/h3-8,17,19H,9-16H2,1-2H3
InChIKeyHQJVDMPCQFTRQI-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.94
Rot. Bonds3

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

(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 42852078) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID42852078
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C25H30ClN3O2/c1-17-9-13-29(14-10-17)25(31)22-8-3-18(2)27-23(22)19-11-15-28(16-12-19)24(30)20-4-6-21(26)7-5-20/h3-8,17,19H,9-16H2,1-2H3
InChIKeyHQJVDMPCQFTRQI-UHFFFAOYSA-N
XLogP4.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42852080
(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
[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
N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 46068380
1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867222
[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 42852196
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 42852078) is (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(C)CC2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is HQJVDMPCQFTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-17-9-13-29(14-10-17)25(31)22-8-3-18(2)27-23(22)19-11-15-28(16-12-19)24(30)20-4-6-21(26)7-5-20/h3-8,17,19H,9-16H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 439.99 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).