1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide

C17H30N6O — CID 3208711

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H30N6O/c1-12(2)11-15(22-9-7-13(8-10-22)16(18)24)17-19-20-21-23(17)14-5-3-4-6-14/h12-15H,3-11H2,1-2H3,(H2,18,24)
InChIKeyVAKVANAXYQTCLN-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.07
Rot. Bonds6

About 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide

1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide (PubChem CID 3208711) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
PubChem CID3208711
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H30N6O/c1-12(2)11-15(22-9-7-13(8-10-22)16(18)24)17-19-20-21-23(17)14-5-3-4-6-14/h12-15H,3-11H2,1-2H3,(H2,18,24)
InChIKeyVAKVANAXYQTCLN-UHFFFAOYSA-N
XLogP2.07
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide (CID 3208711) is 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide is CC(C)CC(c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
The InChIKey is VAKVANAXYQTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-12(2)11-15(22-9-7-13(8-10-22)16(18)24)17-19-20-21-23(17)14-5-3-4-6-14/h12-15H,3-11H2,1-2H3,(H2,18,24).
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide?
1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 3208711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).