(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

C21H22F2N2O3 — CID 94082606

IUPAC(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C21H22F2N2O3/c1-28-17-7-4-14(5-8-17)12-24-20(26)16-3-2-10-25(13-16)21(27)15-6-9-18(22)19(23)11-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyKEXRTDVXSCVYEH-MRXNPFEDSA-N
MW388.41 g/mol
LogP3.14
Rot. Bonds5

About (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 94082606) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID94082606
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C21H22F2N2O3/c1-28-17-7-4-14(5-8-17)12-24-20(26)16-3-2-10-25(13-16)21(27)15-6-9-18(22)19(23)11-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyKEXRTDVXSCVYEH-MRXNPFEDSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]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-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804362
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46684487
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 94082606) is (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KEXRTDVXSCVYEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-28-17-7-4-14(5-8-17)12-24-20(26)16-3-2-10-25(13-16)21(27)15-6-9-18(22)19(23)11-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94082606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).