(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide

C17H23ClFN3O — CID 125130031

IUPAC(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)N1CC[C@@H](N2CCCCC2)C1
InChIInChI=1S/C17H23ClFN3O/c18-15-5-4-6-16(19)14(15)11-20-17(23)22-10-7-13(12-22)21-8-2-1-3-9-21/h4-6,13H,1-3,7-12H2,(H,20,23)/t13-/m1/s1
InChIKeyDCEKAMSCELDEJF-CYBMUJFWSA-N
MW339.84 g/mol
LogP3.25
Rot. Bonds3

About (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide

(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 125130031) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
PubChem CID125130031
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC Name(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)N1CC[C@@H](N2CCCCC2)C1
InChIInChI=1S/C17H23ClFN3O/c18-15-5-4-6-16(19)14(15)11-20-17(23)22-10-7-13(12-22)21-8-2-1-3-9-21/h4-6,13H,1-3,7-12H2,(H,20,23)/t13-/m1/s1
InChIKeyDCEKAMSCELDEJF-CYBMUJFWSA-N
XLogP3.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145592
tert-butyl 3-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 71630780
(3S)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968684
(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968686
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124761260
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 103293154
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
(3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 97278731
2-(4-chlorophenyl)-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 99928537
2-(2,4-difluorophenyl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 97051443
2-(2,4-difluorophenyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 86284380

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide (CID 125130031) is (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide is O=C(NCc1c(F)cccc1Cl)N1CC[C@@H](N2CCCCC2)C1.
What is the InChIKey of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is DCEKAMSCELDEJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23ClFN3O/c18-15-5-4-6-16(19)14(15)11-20-17(23)22-10-7-13(12-22)21-8-2-1-3-9-21/h4-6,13H,1-3,7-12H2,(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide?
(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 339.84 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 125130031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).