(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide

C22H25FN2O4 — CID 94082480

IUPAC(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1OC
InChIInChI=1S/C22H25FN2O4/c1-28-19-11-5-7-15(20(19)29-2)13-24-21(26)16-8-6-12-25(14-16)22(27)17-9-3-4-10-18(17)23/h3-5,7,9-11,16H,6,8,12-14H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyGZXZDMSDFPGLAL-INIZCTEOSA-N
MW400.45 g/mol
LogP3.01
Rot. Bonds6

About (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide

(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 94082480) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID94082480
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1OC
InChIInChI=1S/C22H25FN2O4/c1-28-19-11-5-7-15(20(19)29-2)13-24-21(26)16-8-6-12-25(14-16)22(27)17-9-3-4-10-18(17)23/h3-5,7,9-11,16H,6,8,12-14H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyGZXZDMSDFPGLAL-INIZCTEOSA-N
XLogP3.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-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

(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46586888
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
N-[(2,3-dimethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552995
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55912491
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082488
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide (CID 94082480) is (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide is COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1OC.
What is the InChIKey of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is GZXZDMSDFPGLAL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-28-19-11-5-7-15(20(19)29-2)13-24-21(26)16-8-6-12-25(14-16)22(27)17-9-3-4-10-18(17)23/h3-5,7,9-11,16H,6,8,12-14H2,1-2H3,(H,24,26)/t16-/m0/s1.
What are the key properties of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).