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

C13H22N6O — CID 857903

IUPAC1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C13H22N6O/c14-13(20)10-5-7-18(8-6-10)9-12-15-16-17-19(12)11-3-1-2-4-11/h10-11H,1-9H2,(H2,14,20)
InChIKeyLGEQCVIGJBYGAW-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.49
Rot. Bonds4

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

1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 857903) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID857903
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C13H22N6O/c14-13(20)10-5-7-18(8-6-10)9-12-15-16-17-19(12)11-3-1-2-4-11/h10-11H,1-9H2,(H2,14,20)
InChIKeyLGEQCVIGJBYGAW-UHFFFAOYSA-N
XLogP0.49
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{1-[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-butyl}-piperidine-4-carboxylic acid amide
CID 6603174
1-{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-piperidine-4-carboxylic acid amide
CID 647785
1-[1-(1-Cyclopentyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208671
1-[1-(1-Cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 3208695
1-[1-(1-Cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
CID 3208711
1-{2-Methyl-1-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-propyl}-piperidine-4-carboxylic acid amide
CID 3210353
1-[1-[1-(3-Methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 654855
1-{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperidine-4-carboxylic acid amide
CID 655071
1-{1-[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-propyl}-piperidine-4-carboxylic acid amide
CID 655135
4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-(2,2,2-trifluoroethyl)butanamide
CID 56709392
1-[(1-Cyclohexyltetrazol-5-yl)methyl]piperidine-4-carboxamide
CID 857873
1-[1-(1-Cyclohexyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208537

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide (CID 857903) is 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LGEQCVIGJBYGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c14-13(20)10-5-7-18(8-6-10)9-12-15-16-17-19(12)11-3-1-2-4-11/h10-11H,1-9H2,(H2,14,20).
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide?
1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 857903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).