1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride

C18H27ClN6O — CID 6603125

IUPAC1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C18H26N6O.ClH/c1-2-6-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-14-7-4-3-5-8-14;/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2,19,25);1H
InChIKeyWMHUJZPMFQEZLO-UHFFFAOYSA-N
MW378.91 g/mol
LogP2.18
Rot. Bonds7

About 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride

1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 6603125) has the molecular formula C18H27ClN6O and a molecular weight of 378.91 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride
PubChem CID6603125
Molecular FormulaC18H27ClN6O
Molecular Weight378.91 g/mol
Exact Mass378.19
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C18H26N6O.ClH/c1-2-6-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-14-7-4-3-5-8-14;/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2,19,25);1H
InChIKeyWMHUJZPMFQEZLO-UHFFFAOYSA-N
XLogP2.18
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride (CID 6603125) is 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride is CCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1.Cl.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is WMHUJZPMFQEZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O.ClH/c1-2-6-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-14-7-4-3-5-8-14;/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2,19,25);1H.
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride?
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 378.91 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 6603125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).