1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide

C25H31FN4O2 — CID 125004277

IUPAC1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide
SMILESCN(C(=O)C1(C)CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C25H31FN4O2/c1-25(12-16-29(17-13-25)23(31)20-9-3-4-10-21(20)26)24(32)28(2)19-8-7-15-30(18-19)22-11-5-6-14-27-22/h3-6,9-11,14,19H,7-8,12-13,15-18H2,1-2H3/t19-/m1/s1
InChIKeySXJYMKBSVNPYQD-LJQANCHMSA-N
MW438.55 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide

1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide (PubChem CID 125004277) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide
PubChem CID125004277
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide
SMILESCN(C(=O)C1(C)CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C25H31FN4O2/c1-25(12-16-29(17-13-25)23(31)20-9-3-4-10-21(20)26)24(32)28(2)19-8-7-15-30(18-19)22-11-5-6-14-27-22/h3-6,9-11,14,19H,7-8,12-13,15-18H2,1-2H3/t19-/m1/s1
InChIKeySXJYMKBSVNPYQD-LJQANCHMSA-N
XLogP3.59
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
CID 124952867
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 124980202
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124975661
N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide
CID 125008427

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide (CID 125004277) is 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide is CN(C(=O)C1(C)CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide?
The InChIKey is SXJYMKBSVNPYQD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-25(12-16-29(17-13-25)23(31)20-9-3-4-10-21(20)26)24(32)28(2)19-8-7-15-30(18-19)22-11-5-6-14-27-22/h3-6,9-11,14,19H,7-8,12-13,15-18H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide?
1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 125004277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).