1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride

C16H31ClN6O — CID 6603174

IUPAC1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C16H30N6O.ClH/c1-4-5-14(21-9-7-13(8-10-21)15(17)23)16-18-19-20-22(16)11-6-12(2)3;/h12-14H,4-11H2,1-3H3,(H2,17,23);1H
InChIKeyNRMSJYPFIPMIFU-UHFFFAOYSA-N
MW358.92 g/mol
LogP2.18
Rot. Bonds8

About 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride

1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 6603174) has the molecular formula C16H31ClN6O and a molecular weight of 358.92 g/mol. Its IUPAC name is 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride
PubChem CID6603174
Molecular FormulaC16H31ClN6O
Molecular Weight358.92 g/mol
Exact Mass358.22
IUPAC Name1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C16H30N6O.ClH/c1-4-5-14(21-9-7-13(8-10-21)15(17)23)16-18-19-20-22(16)11-6-12(2)3;/h12-14H,4-11H2,1-3H3,(H2,17,23);1H
InChIKeyNRMSJYPFIPMIFU-UHFFFAOYSA-N
XLogP2.18
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
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-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride (CID 6603174) is 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride is CCCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1.Cl.
What is the InChIKey of 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is NRMSJYPFIPMIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O.ClH/c1-4-5-14(21-9-7-13(8-10-21)15(17)23)16-18-19-20-22(16)11-6-12(2)3;/h12-14H,4-11H2,1-3H3,(H2,17,23);1H.
What are the key properties of 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 358.92 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 6603174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).