N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide

C17H24N6O — CID 75524686

IUPACN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2C(C)C)cc1-n1cnnn1
InChIInChI=1S/C17H24N6O/c1-12(2)15-6-4-5-9-22(15)17(24)19-14-8-7-13(3)16(10-14)23-11-18-20-21-23/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,19,24)
InChIKeyPZVBOQGVESCHLA-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.01
Rot. Bonds3

About N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide

N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide (PubChem CID 75524686) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
PubChem CID75524686
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2C(C)C)cc1-n1cnnn1
InChIInChI=1S/C17H24N6O/c1-12(2)15-6-4-5-9-22(15)17(24)19-14-8-7-13(3)16(10-14)23-11-18-20-21-23/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,19,24)
InChIKeyPZVBOQGVESCHLA-UHFFFAOYSA-N
XLogP3.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697259
1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
CID 75397346
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697672
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 64823717
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988626
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697418
(3aS,6aR)-2-[[4-methyl-3-(tetrazol-1-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122075651
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide (CID 75524686) is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCCC2C(C)C)cc1-n1cnnn1.
What is the InChIKey of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is PZVBOQGVESCHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)15-6-4-5-9-22(15)17(24)19-14-8-7-13(3)16(10-14)23-11-18-20-21-23/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,19,24).
What are the key properties of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 75524686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).