1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride

C20H34Cl2N4O — CID 119393584

IUPAC1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H32N4O.2ClH/c25-20(22-10-6-13-23-15-11-21-12-16-23)19-9-4-5-14-24(19)17-18-7-2-1-3-8-18;;/h1-3,7-8,19,21H,4-6,9-17H2,(H,22,25);2*1H
InChIKeyWBIAWPXZNRZGFJ-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.30
Rot. Bonds7

About 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride

1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride (PubChem CID 119393584) has the molecular formula C20H34Cl2N4O and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
PubChem CID119393584
Molecular FormulaC20H34Cl2N4O
Molecular Weight417.43 g/mol
Exact Mass416.21
IUPAC Name1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H32N4O.2ClH/c25-20(22-10-6-13-23-15-11-21-12-16-23)19-9-4-5-14-24(19)17-18-7-2-1-3-8-18;;/h1-3,7-8,19,21H,4-6,9-17H2,(H,22,25);2*1H
InChIKeyWBIAWPXZNRZGFJ-UHFFFAOYSA-N
XLogP2.30
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride (CID 119393584) is 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCNCC1)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride?
The InChIKey is WBIAWPXZNRZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.2ClH/c25-20(22-10-6-13-23-15-11-21-12-16-23)19-9-4-5-14-24(19)17-18-7-2-1-3-8-18;;/h1-3,7-8,19,21H,4-6,9-17H2,(H,22,25);2*1H.
What are the key properties of 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride?
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride has a molecular weight of 417.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119393584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).