[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone

C23H30N4O — CID 72886799

IUPAC[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone
SMILESCc1cccnc1CN1CCN(C(=O)c2ccc(C3CCCNC3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-18-4-2-11-25-22(18)17-26-12-14-27(15-13-26)23(28)20-8-6-19(7-9-20)21-5-3-10-24-16-21/h2,4,6-9,11,21,24H,3,5,10,12-17H2,1H3
InChIKeyMQDIDJSYZOMNLR-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.82
Rot. Bonds4

About [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone

[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone (PubChem CID 72886799) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone
PubChem CID72886799
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone
SMILESCc1cccnc1CN1CCN(C(=O)c2ccc(C3CCCNC3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-18-4-2-11-25-22(18)17-26-12-14-27(15-13-26)23(28)20-8-6-19(7-9-20)21-5-3-10-24-16-21/h2,4,6-9,11,21,24H,3,5,10,12-17H2,1H3
InChIKeyMQDIDJSYZOMNLR-UHFFFAOYSA-N
XLogP2.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone with MolForge

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Related Compounds

cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95876601
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 70714057
(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride
CID 172654394
2-(3-methyl-2-pyridinyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 107148570
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95896182
[4-(oxan-4-yl)piperazin-1-yl]-[4-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97189193
(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 129043284
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 46989818
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70736951
(5-methoxyfuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70772609

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
The IUPAC name of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone (CID 72886799) is [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone.
What is the SMILES notation for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
The canonical SMILES for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone is Cc1cccnc1CN1CCN(C(=O)c2ccc(C3CCCNC3)cc2)CC1.
What is the InChIKey of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
The InChIKey is MQDIDJSYZOMNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-4-2-11-25-22(18)17-26-12-14-27(15-13-26)23(28)20-8-6-19(7-9-20)21-5-3-10-24-16-21/h2,4,6-9,11,21,24H,3,5,10,12-17H2,1H3.
What are the key properties of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone has a molecular weight of 378.52 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone is sourced from PubChem (CID 72886799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).