1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 120831634

IUPAC1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14(18-2)12-19-17(21)16-8-10-20(11-9-16)13-15-6-4-3-5-7-15;;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);2*1H
InChIKeyUGBVDRHLNTUWOG-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.47
Rot. Bonds6

About 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride

1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120831634) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120831634
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14(18-2)12-19-17(21)16-8-10-20(11-9-16)13-15-6-4-3-5-7-15;;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);2*1H
InChIKeyUGBVDRHLNTUWOG-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 120832856
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 119254948
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013477
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride (CID 120831634) is 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride is CNC(C)CNC(=O)C1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is UGBVDRHLNTUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-14(18-2)12-19-17(21)16-8-10-20(11-9-16)13-15-6-4-3-5-7-15;;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride?
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.47, 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]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120831634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).