N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C21H31N7O — CID 121239339

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3(Cn4cnnn4)CCCCC3)cc2)CC1
InChIInChI=1S/C21H31N7O/c1-26-11-13-27(14-12-26)19-7-5-18(6-8-19)23-20(29)15-21(9-3-2-4-10-21)16-28-17-22-24-25-28/h5-8,17H,2-4,9-16H2,1H3,(H,23,29)
InChIKeyIXPADQUXRBDNSA-UHFFFAOYSA-N
MW397.53 g/mol
LogP2.40
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 121239339) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID121239339
Molecular FormulaC21H31N7O
Molecular Weight397.53 g/mol
Exact Mass397.26
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3(Cn4cnnn4)CCCCC3)cc2)CC1
InChIInChI=1S/C21H31N7O/c1-26-11-13-27(14-12-26)19-7-5-18(6-8-19)23-20(29)15-21(9-3-2-4-10-21)16-28-17-22-24-25-28/h5-8,17H,2-4,9-16H2,1H3,(H,23,29)
InChIKeyIXPADQUXRBDNSA-UHFFFAOYSA-N
XLogP2.40
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 71709629
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431787
N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51049242
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5026538
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431018
(3R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 125433965
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431329
N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
CID 5297376
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 121239339) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is CN1CCN(c2ccc(NC(=O)CC3(Cn4cnnn4)CCCCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is IXPADQUXRBDNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O/c1-26-11-13-27(14-12-26)19-7-5-18(6-8-19)23-20(29)15-21(9-3-2-4-10-21)16-28-17-22-24-25-28/h5-8,17H,2-4,9-16H2,1H3,(H,23,29).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 397.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 121239339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).