N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride

C13H19ClN2O — CID 119669719

IUPACN-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10(11-5-3-2-4-6-11)15-13(16)12-7-8-14-9-12;/h2-6,10,12,14H,7-9H2,1H3,(H,15,16);1H
InChIKeyAGXAXANCAAQUHG-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.90
Rot. Bonds3

About N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride

N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119669719) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119669719
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10(11-5-3-2-4-6-11)15-13(16)12-7-8-14-9-12;/h2-6,10,12,14H,7-9H2,1H3,(H,15,16);1H
InChIKeyAGXAXANCAAQUHG-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119669719) is N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCNC1)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AGXAXANCAAQUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10(11-5-3-2-4-6-11)15-13(16)12-7-8-14-9-12;/h2-6,10,12,14H,7-9H2,1H3,(H,15,16);1H.
What are the key properties of N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119669719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).