3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide

C17H23N7O — CID 146103263

IUPAC3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide
SMILESNc1nnnn1-c1cccc(C(=O)NC2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C17H23N7O/c18-17-20-21-22-24(17)14-6-4-5-12(9-14)16(25)19-13-10-15(11-13)23-7-2-1-3-8-23/h4-6,9,13,15H,1-3,7-8,10-11H2,(H,19,25)(H2,18,20,22)
InChIKeyOWOCGYXNWXBOAN-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.99
Rot. Bonds4

About 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide

3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide (PubChem CID 146103263) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide
PubChem CID146103263
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide
SMILESNc1nnnn1-c1cccc(C(=O)NC2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C17H23N7O/c18-17-20-21-22-24(17)14-6-4-5-12(9-14)16(25)19-13-10-15(11-13)23-7-2-1-3-8-23/h4-6,9,13,15H,1-3,7-8,10-11H2,(H,19,25)(H2,18,20,22)
InChIKeyOWOCGYXNWXBOAN-UHFFFAOYSA-N
XLogP0.99
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid
CID 167891040
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 96558182
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
[3-(5-aminotetrazol-1-yl)phenyl]-(5,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 154850140
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide?
The IUPAC name of 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide (CID 146103263) is 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide.
What is the SMILES notation for 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide?
The canonical SMILES for 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide is Nc1nnnn1-c1cccc(C(=O)NC2CC(N3CCCCC3)C2)c1.
What is the InChIKey of 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide?
The InChIKey is OWOCGYXNWXBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c18-17-20-21-22-24(17)14-6-4-5-12(9-14)16(25)19-13-10-15(11-13)23-7-2-1-3-8-23/h4-6,9,13,15H,1-3,7-8,10-11H2,(H,19,25)(H2,18,20,22).
What are the key properties of 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide?
3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide has a molecular weight of 341.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminotetrazol-1-yl)-N-(3-piperidin-1-ylcyclobutyl)benzamide is sourced from PubChem (CID 146103263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).