3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C24H31N5O2 — CID 24794089

IUPAC3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)N2CCCC(CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C24H31N5O2/c1-19-7-9-21(17-26-19)24(31)29-12-4-5-20(18-29)8-10-23(30)28-15-13-27(14-16-28)22-6-2-3-11-25-22/h2-3,6-7,9,11,17,20H,4-5,8,10,12-16,18H2,1H3
InChIKeyQEYFVDQXMKSQFZ-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.77
Rot. Bonds5

About 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 24794089) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID24794089
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)N2CCCC(CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C24H31N5O2/c1-19-7-9-21(17-26-19)24(31)29-12-4-5-20(18-29)8-10-23(30)28-15-13-27(14-16-28)22-6-2-3-11-25-22/h2-3,6-7,9,11,17,20H,4-5,8,10,12-16,18H2,1H3
InChIKeyQEYFVDQXMKSQFZ-UHFFFAOYSA-N
XLogP2.77
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
BPKDi
CID 46901383
Src-820 R
CID 63120
N11-Ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453307
N5-Methyl-N11-propyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453312
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453341
N5,N11-Diethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 453352
2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463134
Dipyridodiazepinone deriv. 8
CID 463137
Dipyridodiazepinone deriv. 5
CID 463543
Dipyridodiazepinone deriv. 25
CID 463545

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 24794089) is 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is Cc1ccc(C(=O)N2CCCC(CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1.
What is the InChIKey of 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is QEYFVDQXMKSQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-19-7-9-21(17-26-19)24(31)29-12-4-5-20(18-29)8-10-23(30)28-15-13-27(14-16-28)22-6-2-3-11-25-22/h2-3,6-7,9,11,17,20H,4-5,8,10,12-16,18H2,1H3.
What are the key properties of 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 421.55 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 24794089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).