N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride

C22H29ClN2O — CID 119813623

IUPACN-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(CCc1ccccc1)CCc1ccccc1)C1CCNC1
InChIInChI=1S/C22H28N2O.ClH/c25-22(20-15-16-23-17-20)24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;/h1-10,20-21,23H,11-17H2,(H,24,25);1H
InChIKeyZGWQCSKBAOMERF-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.77
Rot. Bonds8

About N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride

N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119813623) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119813623
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC NameN-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(CCc1ccccc1)CCc1ccccc1)C1CCNC1
InChIInChI=1S/C22H28N2O.ClH/c25-22(20-15-16-23-17-20)24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;/h1-10,20-21,23H,11-17H2,(H,24,25);1H
InChIKeyZGWQCSKBAOMERF-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 120635934
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538

Frequently Asked Questions

What is the IUPAC name of N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 119813623) is N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC(CCc1ccccc1)CCc1ccccc1)C1CCNC1.
What is the InChIKey of N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZGWQCSKBAOMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.ClH/c25-22(20-15-16-23-17-20)24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;/h1-10,20-21,23H,11-17H2,(H,24,25);1H.
What are the key properties of N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119813623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).