(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide

C15H21N3O — CID 93029701

IUPAC(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN1
InChIInChI=1S/C15H21N3O/c19-15(14-4-3-9-16-14)17-12-5-7-13(8-6-12)18-10-1-2-11-18/h5-8,14,16H,1-4,9-11H2,(H,17,19)/t14-/m1/s1
InChIKeyUCJHJTMPFFJQQM-CQSZACIVSA-N
MW259.35 g/mol
LogP1.98
Rot. Bonds3

About (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 93029701) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID93029701
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN1
InChIInChI=1S/C15H21N3O/c19-15(14-4-3-9-16-14)17-12-5-7-13(8-6-12)18-10-1-2-11-18/h5-8,14,16H,1-4,9-11H2,(H,17,19)/t14-/m1/s1
InChIKeyUCJHJTMPFFJQQM-CQSZACIVSA-N
XLogP1.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
(2R)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809385

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide (CID 93029701) is (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is UCJHJTMPFFJQQM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(14-4-3-9-16-14)17-12-5-7-13(8-6-12)18-10-1-2-11-18/h5-8,14,16H,1-4,9-11H2,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 93029701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).