[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C29H37FN4O2 — CID 46068543

IUPAC[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C29H37FN4O2/c1-21-9-10-25(29(36)34-19-13-23(14-20-34)32-15-5-2-6-16-32)27(31-21)22-11-17-33(18-12-22)28(35)24-7-3-4-8-26(24)30/h3-4,7-10,22-23H,2,5-6,11-20H2,1H3
InChIKeySIZLKYWAZUCNRQ-UHFFFAOYSA-N
MW492.64 g/mol
LogP4.64
Rot. Bonds4

About [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 46068543) has the molecular formula C29H37FN4O2 and a molecular weight of 492.64 g/mol. Its IUPAC name is [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID46068543
Molecular FormulaC29H37FN4O2
Molecular Weight492.64 g/mol
Exact Mass492.29
IUPAC Name[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C29H37FN4O2/c1-21-9-10-25(29(36)34-19-13-23(14-20-34)32-15-5-2-6-16-32)27(31-21)22-11-17-33(18-12-22)28(35)24-7-3-4-8-26(24)30/h3-4,7-10,22-23H,2,5-6,11-20H2,1H3
InChIKeySIZLKYWAZUCNRQ-UHFFFAOYSA-N
XLogP4.64
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 42867449
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
(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
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
CID 46044675
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42114058
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 46068543) is [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is SIZLKYWAZUCNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O2/c1-21-9-10-25(29(36)34-19-13-23(14-20-34)32-15-5-2-6-16-32)27(31-21)22-11-17-33(18-12-22)28(35)24-7-3-4-8-26(24)30/h3-4,7-10,22-23H,2,5-6,11-20H2,1H3.
What are the key properties of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 492.64 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 46068543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).