N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119884957

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-20(18(23)17-9-16(22)10-19-17)11-15-7-8-21(13-15)12-14-5-3-2-4-6-14;;/h2-6,15-17,19,22H,7-13H2,1H3;2*1H
InChIKeySJKLGUOEEHEQNS-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.53
Rot. Bonds5

About N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride

N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119884957) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119884957
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-20(18(23)17-9-16(22)10-19-17)11-15-7-8-21(13-15)12-14-5-3-2-4-6-14;;/h2-6,15-17,19,22H,7-13H2,1H3;2*1H
InChIKeySJKLGUOEEHEQNS-UHFFFAOYSA-N
XLogP1.53
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941664
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride (CID 119884957) is N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride is CN(CC1CCN(Cc2ccccc2)C1)C(=O)C1CC(O)CN1.Cl.Cl.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is SJKLGUOEEHEQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-20(18(23)17-9-16(22)10-19-17)11-15-7-8-21(13-15)12-14-5-3-2-4-6-14;;/h2-6,15-17,19,22H,7-13H2,1H3;2*1H.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride?
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119884957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).