1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 120829939

IUPAC1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)C1CCCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(17-2)11-18-16(20)15-9-6-10-19(15)12-14-7-4-3-5-8-14;;/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,18,20);2*1H
InChIKeyPRZRFKKZXKFTFE-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.22
Rot. Bonds6

About 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride

1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 120829939) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID120829939
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)C1CCCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13(17-2)11-18-16(20)15-9-6-10-19(15)12-14-7-4-3-5-8-14;;/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,18,20);2*1H
InChIKeyPRZRFKKZXKFTFE-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
CID 60615305
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 120829939) is 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride is CNC(C)CNC(=O)C1CCCN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is PRZRFKKZXKFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-13(17-2)11-18-16(20)15-9-6-10-19(15)12-14-7-4-3-5-8-14;;/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120829939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).