1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide

C16H29N6O+ — CID 7383765

IUPAC1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
SMILESCC(C)[C@@H](c1nnnn1C1CCCC1)[NH+]1CCC(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)/p+1/t14-/m0/s1
InChIKeyBRBIMHZJACCYKO-AWEZNQCLSA-O
MW321.45 g/mol
LogP0.27
Rot. Bonds5

About 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide

1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide (PubChem CID 7383765) has the molecular formula C16H29N6O+ and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
PubChem CID7383765
Molecular FormulaC16H29N6O+
Molecular Weight321.45 g/mol
Exact Mass321.24
IUPAC Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
SMILESCC(C)[C@@H](c1nnnn1C1CCCC1)[NH+]1CCC(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)/p+1/t14-/m0/s1
InChIKeyBRBIMHZJACCYKO-AWEZNQCLSA-O
XLogP0.27
TPSA91.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
CID 7383600
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 857870
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208671
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 861355
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
CID 861340
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382839
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide (CID 7383765) is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide is CC(C)[C@@H](c1nnnn1C1CCCC1)[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
The InChIKey is BRBIMHZJACCYKO-AWEZNQCLSA-O. 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)/p+1/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7383765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).