(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C15H19FN2O2 — CID 9270503

IUPAC(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-11(19)18-8-2-3-13(10-18)15(20)17-9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyCXQQLMWDEYXDGW-CYBMUJFWSA-N
MW278.33 g/mol
LogP1.70
Rot. Bonds3

About (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 9270503) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID9270503
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-11(19)18-8-2-3-13(10-18)15(20)17-9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyCXQQLMWDEYXDGW-CYBMUJFWSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 100853149
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 1031755
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
1-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20911306
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3S)-N-[(4-fluorophenyl)methyl]-1-[(3R)-3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 98222096
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51687287

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 9270503) is (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CXQQLMWDEYXDGW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11(19)18-8-2-3-13(10-18)15(20)17-9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 9270503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).