N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O2 — CID 110012103

IUPACN-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NC(CCO)c2ccccc2)CCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(9-5-10-16-15)14(19)17-13(8-11-18)12-6-3-2-4-7-12;/h2-4,6-7,13,16,18H,5,8-11H2,1H3,(H,17,19);1H
InChIKeyPIHUKJYHGQLVJK-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.79
Rot. Bonds5

About N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride

N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 110012103) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID110012103
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NC(CCO)c2ccccc2)CCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(9-5-10-16-15)14(19)17-13(8-11-18)12-6-3-2-4-7-12;/h2-4,6-7,13,16,18H,5,8-11H2,1H3,(H,17,19);1H
InChIKeyPIHUKJYHGQLVJK-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
CID 104596194
methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 104596729
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
3-[(2-methylpiperidine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 104596315
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308
(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 141351303
2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
CID 81410580
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride (CID 110012103) is N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride is CC1(C(=O)NC(CCO)c2ccccc2)CCCN1.Cl.
What is the InChIKey of N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PIHUKJYHGQLVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-15(9-5-10-16-15)14(19)17-13(8-11-18)12-6-3-2-4-7-12;/h2-4,6-7,13,16,18H,5,8-11H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 110012103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).