N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide

C15H21N7O — CID 37206138

IUPACN,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H21N7O/c1-19(2)15(23)21-10-8-20(9-11-21)12-14-16-17-18-22(14)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyAHNVLSSWQUQFMR-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.46
Rot. Bonds3

About N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide

N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 37206138) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID37206138
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H21N7O/c1-19(2)15(23)21-10-8-20(9-11-21)12-14-16-17-18-22(14)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyAHNVLSSWQUQFMR-UHFFFAOYSA-N
XLogP0.46
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 30936083
ethyl 4-oxo-4-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butanoate
CID 30936106
1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30738891
(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30857768
2-(4-fluorophenyl)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30857695
(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936153
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(4-chlorophenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47536185
(3-methylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 37085029
2-(3-methoxyphenoxy)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30936275
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 30858611
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide (CID 37206138) is N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is AHNVLSSWQUQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-19(2)15(23)21-10-8-20(9-11-21)12-14-16-17-18-22(14)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 37206138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).