1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide

C16H28N6O — CID 3208695

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H28N6O/c1-11(2)14(21-9-7-12(8-10-21)15(17)23)16-18-19-20-22(16)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H2,17,23)
InChIKeyBRBIMHZJACCYKO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.68
Rot. Bonds5

About 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide

1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide (PubChem CID 3208695) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
PubChem CID3208695
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H28N6O/c1-11(2)14(21-9-7-12(8-10-21)15(17)23)16-18-19-20-22(16)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H2,17,23)
InChIKeyBRBIMHZJACCYKO-UHFFFAOYSA-N
XLogP1.68
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.68
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)-2-methylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide (CID 3208695) is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide is CC(C)C(c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The InChIKey is BRBIMHZJACCYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-11(2)14(21-9-7-12(8-10-21)15(17)23)16-18-19-20-22(16)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H2,17,23).
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.68, 5 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)-2-methylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 3208695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).