4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride

C19H29ClN4O2 — CID 119413514

IUPAC4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CC[C@@H](N)C2)CC1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-21(13-15-5-3-2-4-6-15)19(25)22-10-7-16(8-11-22)18(24)23-12-9-17(20)14-23;/h2-6,16-17H,7-14,20H2,1H3;1H/t17-;/m1./s1
InChIKeyVMBLZLRAFOJWPH-UNTBIKODSA-N
MW380.92 g/mol
LogP1.93
Rot. Bonds3

About 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride (PubChem CID 119413514) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
PubChem CID119413514
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CC[C@@H](N)C2)CC1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-21(13-15-5-3-2-4-6-15)19(25)22-10-7-16(8-11-22)18(24)23-12-9-17(20)14-23;/h2-6,16-17H,7-14,20H2,1H3;1H/t17-;/m1./s1
InChIKeyVMBLZLRAFOJWPH-UNTBIKODSA-N
XLogP1.93
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
CID 119596833
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
4-[[(4-aminopiperidine-1-carbonyl)-methylamino]methyl]benzoic acid
CID 61402615
3-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119411270
4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119572092
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119605290
4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 120788633
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride (CID 119413514) is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride is CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CC[C@@H](N)C2)CC1.Cl.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is VMBLZLRAFOJWPH-UNTBIKODSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-21(13-15-5-3-2-4-6-15)19(25)22-10-7-16(8-11-22)18(24)23-12-9-17(20)14-23;/h2-6,16-17H,7-14,20H2,1H3;1H/t17-;/m1./s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119413514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).