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

C24H29N3O2 — CID 46044756

IUPAC(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-17-5-8-20(9-6-17)23(28)27-15-11-19(12-16-27)22-21(10-7-18(2)25-22)24(29)26-13-3-4-14-26/h5-10,19H,3-4,11-16H2,1-2H3
InChIKeyZZOOGXTYZGWACW-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.95
Rot. Bonds3

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

(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 46044756) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID46044756
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-17-5-8-20(9-6-17)23(28)27-15-11-19(12-16-27)22-21(10-7-18(2)25-22)24(29)26-13-3-4-14-26/h5-10,19H,3-4,11-16H2,1-2H3
InChIKeyZZOOGXTYZGWACW-UHFFFAOYSA-N
XLogP3.95
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
[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
[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42852080
cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867222
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 46044756) is (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is ZZOOGXTYZGWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-5-8-20(9-6-17)23(28)27-15-11-19(12-16-27)22-21(10-7-18(2)25-22)24(29)26-13-3-4-14-26/h5-10,19H,3-4,11-16H2,1-2H3.
What are the key properties of (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46044756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).