4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide

C23H29N7O — CID 134788594

IUPAC4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide
SMILESCCc1cccc(-n2nnnc2N2CCN(C(=O)NC(C)(C)c3ccccc3)CC2)c1
InChIInChI=1S/C23H29N7O/c1-4-18-9-8-12-20(17-18)30-21(25-26-27-30)28-13-15-29(16-14-28)22(31)24-23(2,3)19-10-6-5-7-11-19/h5-12,17H,4,13-16H2,1-3H3,(H,24,31)
InChIKeyWNMDVGNRDGPUHH-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.99
Rot. Bonds5

About 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide

4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide (PubChem CID 134788594) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide
PubChem CID134788594
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide
SMILESCCc1cccc(-n2nnnc2N2CCN(C(=O)NC(C)(C)c3ccccc3)CC2)c1
InChIInChI=1S/C23H29N7O/c1-4-18-9-8-12-20(17-18)30-21(25-26-27-30)28-13-15-29(16-14-28)22(31)24-23(2,3)19-10-6-5-7-11-19/h5-12,17H,4,13-16H2,1-3H3,(H,24,31)
InChIKeyWNMDVGNRDGPUHH-UHFFFAOYSA-N
XLogP2.99
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 134788702
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 33451759
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 134789442
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 113216629
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073604
tert-butyl N-[3-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]carbamate
CID 55636525
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide (CID 134788594) is 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide is CCc1cccc(-n2nnnc2N2CCN(C(=O)NC(C)(C)c3ccccc3)CC2)c1.
What is the InChIKey of 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide?
The InChIKey is WNMDVGNRDGPUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-4-18-9-8-12-20(17-18)30-21(25-26-27-30)28-13-15-29(16-14-28)22(31)24-23(2,3)19-10-6-5-7-11-19/h5-12,17H,4,13-16H2,1-3H3,(H,24,31).
What are the key properties of 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide?
4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 134788594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).