1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 119433038

IUPAC1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)C1CCCCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-18-11-7-12-19-17(21)16-10-5-6-13-20(16)14-15-8-3-2-4-9-15;;/h2-4,8-9,16,18H,5-7,10-14H2,1H3,(H,19,21);2*1H
InChIKeyPBOAWWJVVLOBIH-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.61
Rot. Bonds7

About 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride

1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119433038) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119433038
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)C1CCCCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-18-11-7-12-19-17(21)16-10-5-6-13-20(16)14-15-8-3-2-4-9-15;;/h2-4,8-9,16,18H,5-7,10-14H2,1H3,(H,19,21);2*1H
InChIKeyPBOAWWJVVLOBIH-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984929
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride (CID 119433038) is 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride is CNCCCNC(=O)C1CCCCN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is PBOAWWJVVLOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-18-11-7-12-19-17(21)16-10-5-6-13-20(16)14-15-8-3-2-4-9-15;;/h2-4,8-9,16,18H,5-7,10-14H2,1H3,(H,19,21);2*1H.
What are the key properties of 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride?
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119433038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).