(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C26H34FN3O — CID 92996048

IUPAC(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCc1cccc([C@H]2C[C@@H](C(=O)NCCN3CCCC3)CN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C26H34FN3O/c1-20-7-6-9-21(15-20)23-16-24(26(31)28-11-14-29-12-4-5-13-29)19-30(18-23)17-22-8-2-3-10-25(22)27/h2-3,6-10,15,23-24H,4-5,11-14,16-19H2,1H3,(H,28,31)/t23-,24+/m0/s1
InChIKeyCEZSQVONUKUXAV-BJKOFHAPSA-N
MW423.58 g/mol
LogP3.95
Rot. Bonds7

About (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 92996048) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID92996048
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC Name(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCc1cccc([C@H]2C[C@@H](C(=O)NCCN3CCCC3)CN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C26H34FN3O/c1-20-7-6-9-21(15-20)23-16-24(26(31)28-11-14-29-12-4-5-13-29)19-30(18-23)17-22-8-2-3-10-25(22)27/h2-3,6-10,15,23-24H,4-5,11-14,16-19H2,1H3,(H,28,31)/t23-,24+/m0/s1
InChIKeyCEZSQVONUKUXAV-BJKOFHAPSA-N
XLogP3.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 92996047
(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996062
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996067
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065513
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098
(3S,5S)-1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92997354
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 42865550
1-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-phenylpiperidine-3-carboxamide
CID 42865681
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 42849513

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 92996048) is (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is Cc1cccc([C@H]2C[C@@H](C(=O)NCCN3CCCC3)CN(Cc3ccccc3F)C2)c1.
What is the InChIKey of (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is CEZSQVONUKUXAV-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-20-7-6-9-21(15-20)23-16-24(26(31)28-11-14-29-12-4-5-13-29)19-30(18-23)17-22-8-2-3-10-25(22)27/h2-3,6-10,15,23-24H,4-5,11-14,16-19H2,1H3,(H,28,31)/t23-,24+/m0/s1.
What are the key properties of (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).