(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

C20H24FN3O — CID 95234307

IUPAC(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1
InChIInChI=1S/C20H24FN3O/c1-15(19-9-2-3-10-22-19)23-20(25)17-7-5-11-24(14-17)13-16-6-4-8-18(21)12-16/h2-4,6,8-10,12,15,17H,5,7,11,13-14H2,1H3,(H,23,25)/t15-,17-/m1/s1
InChIKeyIFIPYBHXWJBGHG-NVXWUHKLSA-N
MW341.43 g/mol
LogP3.31
Rot. Bonds5

About (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (PubChem CID 95234307) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
PubChem CID95234307
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1
InChIInChI=1S/C20H24FN3O/c1-15(19-9-2-3-10-22-19)23-20(25)17-7-5-11-24(14-17)13-16-6-4-8-18(21)12-16/h2-4,6,8-10,12,15,17H,5,7,11,13-14H2,1H3,(H,23,25)/t15-,17-/m1/s1
InChIKeyIFIPYBHXWJBGHG-NVXWUHKLSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119588247
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-[(3-fluorophenyl)methyl]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide
CID 56563624
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (CID 95234307) is (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1.
What is the InChIKey of (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The InChIKey is IFIPYBHXWJBGHG-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15(19-9-2-3-10-22-19)23-20(25)17-7-5-11-24(14-17)13-16-6-4-8-18(21)12-16/h2-4,6,8-10,12,15,17H,5,7,11,13-14H2,1H3,(H,23,25)/t15-,17-/m1/s1.
What are the key properties of (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95234307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).