N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H23F2N3O — CID 146127673

IUPACN-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C17H23F2N3O/c18-15-5-4-14(10-16(15)19)20-17(23)22-9-6-13(12-22)11-21-7-2-1-3-8-21/h4-5,10,13H,1-3,6-9,11-12H2,(H,20,23)
InChIKeyXGLJAQJSQMDAAA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.30
Rot. Bonds3

About N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 146127673) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID146127673
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C17H23F2N3O/c18-15-5-4-14(10-16(15)19)20-17(23)22-9-6-13(12-22)11-21-7-2-1-3-8-21/h4-5,10,13H,1-3,6-9,11-12H2,(H,20,23)
InChIKeyXGLJAQJSQMDAAA-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443142
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136534290
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 146127673) is N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCC(CN2CCCCC2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is XGLJAQJSQMDAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c18-15-5-4-14(10-16(15)19)20-17(23)22-9-6-13(12-22)11-21-7-2-1-3-8-21/h4-5,10,13H,1-3,6-9,11-12H2,(H,20,23).
What are the key properties of N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146127673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).