N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide

C22H33N7O — CID 55628459

IUPACN-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCN(c3nnnn3-c3ccccc3)CC2)C1C
InChIInChI=1S/C22H33N7O/c1-16-8-7-11-20(17(16)2)23-21(30)18(3)27-12-14-28(15-13-27)22-24-25-26-29(22)19-9-5-4-6-10-19/h4-6,9-10,16-18,20H,7-8,11-15H2,1-3H3,(H,23,30)
InChIKeyUQYAHMINRLTBKJ-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.11
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide

N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide (PubChem CID 55628459) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
PubChem CID55628459
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCN(c3nnnn3-c3ccccc3)CC2)C1C
InChIInChI=1S/C22H33N7O/c1-16-8-7-11-20(17(16)2)23-21(30)18(3)27-12-14-28(15-13-27)22-24-25-26-29(22)19-9-5-4-6-10-19/h4-6,9-10,16-18,20H,7-8,11-15H2,1-3H3,(H,23,30)
InChIKeyUQYAHMINRLTBKJ-UHFFFAOYSA-N
XLogP2.11
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 11915021
N-(2,3-dimethylcyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4828172
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 11928091
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55601223
(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 100850192
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
CID 11938976
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628198
ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide (CID 55628459) is N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide is CC1CCCC(NC(=O)C(C)N2CCN(c3nnnn3-c3ccccc3)CC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
The InChIKey is UQYAHMINRLTBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-16-8-7-11-20(17(16)2)23-21(30)18(3)27-12-14-28(15-13-27)22-24-25-26-29(22)19-9-5-4-6-10-19/h4-6,9-10,16-18,20H,7-8,11-15H2,1-3H3,(H,23,30).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide has a molecular weight of 411.55 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55628459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).