(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C20H20F2N2O2 — CID 94082445

IUPAC(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C20H20F2N2O2/c21-16-9-7-14(8-10-16)12-23-19(25)15-4-3-11-24(13-15)20(26)17-5-1-2-6-18(17)22/h1-2,5-10,15H,3-4,11-13H2,(H,23,25)/t15-/m0/s1
InChIKeyHQSBGNDNFFNJNR-HNNXBMFYSA-N
MW358.39 g/mol
LogP3.13
Rot. Bonds4

About (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 94082445) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID94082445
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C20H20F2N2O2/c21-16-9-7-14(8-10-16)12-23-19(25)15-4-3-11-24(13-15)20(26)17-5-1-2-6-18(17)22/h1-2,5-10,15H,3-4,11-13H2,(H,23,25)/t15-/m0/s1
InChIKeyHQSBGNDNFFNJNR-HNNXBMFYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082488
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082374
N-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344209
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082480
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
N-[(4-chlorophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019078

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 94082445) is (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HQSBGNDNFFNJNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-16-9-7-14(8-10-16)12-23-19(25)15-4-3-11-24(13-15)20(26)17-5-1-2-6-18(17)22/h1-2,5-10,15H,3-4,11-13H2,(H,23,25)/t15-/m0/s1.
What are the key properties of (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94082445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).