1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile

C16H17N7O — CID 167855375

IUPAC1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccccc2-n2cnnn2)CCN1C1CC1
InChIInChI=1S/C16H17N7O/c17-9-13-10-21(7-8-22(13)12-5-6-12)16(24)14-3-1-2-4-15(14)23-11-18-19-20-23/h1-4,11-13H,5-8,10H2
InChIKeyHMTVLDOQBWBWET-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.47
Rot. Bonds3

About 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile

1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile (PubChem CID 167855375) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile
PubChem CID167855375
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccccc2-n2cnnn2)CCN1C1CC1
InChIInChI=1S/C16H17N7O/c17-9-13-10-21(7-8-22(13)12-5-6-12)16(24)14-3-1-2-4-15(14)23-11-18-19-20-23/h1-4,11-13H,5-8,10H2
InChIKeyHMTVLDOQBWBWET-UHFFFAOYSA-N
XLogP0.47
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
CID 120814501
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 120804243
[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95598699
ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate
CID 24668308
4-(4-cyano-2,6-difluorobenzoyl)-1-cyclopropylpiperazine-2-carbonitrile
CID 154750103
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95603647
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide
CID 4879166
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 109400475
N-(2-methylcyclohexyl)-2-(tetrazol-1-yl)benzamide
CID 78789651
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
CID 119456565
methyl 2,5-dimethyl-4-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylfuran-3-carboxylate
CID 55962156

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile?
The IUPAC name of 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile (CID 167855375) is 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile is N#CC1CN(C(=O)c2ccccc2-n2cnnn2)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile?
The InChIKey is HMTVLDOQBWBWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c17-9-13-10-21(7-8-22(13)12-5-6-12)16(24)14-3-1-2-4-15(14)23-11-18-19-20-23/h1-4,11-13H,5-8,10H2.
What are the key properties of 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile?
1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile is sourced from PubChem (CID 167855375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).