(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide

C29H31FN2O3 — CID 95345541

IUPAC(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C29H31FN2O3/c30-27-13-11-22(12-14-27)17-28(33)32-15-5-10-26(19-32)29(34)31-18-24-8-4-9-25(16-24)21-35-20-23-6-2-1-3-7-23/h1-4,6-9,11-14,16,26H,5,10,15,17-21H2,(H,31,34)/t26-/m1/s1
InChIKeyRZKRBKPRDZYQPZ-AREMUKBSSA-N
MW474.58 g/mol
LogP4.64
Rot. Bonds9

About (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 95345541) has the molecular formula C29H31FN2O3 and a molecular weight of 474.58 g/mol. Its IUPAC name is (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID95345541
Molecular FormulaC29H31FN2O3
Molecular Weight474.58 g/mol
Exact Mass474.23
IUPAC Name(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C29H31FN2O3/c30-27-13-11-22(12-14-27)17-28(33)32-15-5-10-26(19-32)29(34)31-18-24-8-4-9-25(16-24)21-35-20-23-6-2-1-3-7-23/h1-4,6-9,11-14,16,26H,5,10,15,17-21H2,(H,31,34)/t26-/m1/s1
InChIKeyRZKRBKPRDZYQPZ-AREMUKBSSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55760283
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 95345541) is (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is RZKRBKPRDZYQPZ-AREMUKBSSA-N. The full InChI is InChI=1S/C29H31FN2O3/c30-27-13-11-22(12-14-27)17-28(33)32-15-5-10-26(19-32)29(34)31-18-24-8-4-9-25(16-24)21-35-20-23-6-2-1-3-7-23/h1-4,6-9,11-14,16,26H,5,10,15,17-21H2,(H,31,34)/t26-/m1/s1.
What are the key properties of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95345541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).