N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide

C18H27N3O — CID 166373547

IUPACN-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-20-11-13-21(14-12-20)18(22)19-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyLTNLQDDUHKWELD-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.51
Rot. Bonds2

About N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide

N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 166373547) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID166373547
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-20-11-13-21(14-12-20)18(22)19-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyLTNLQDDUHKWELD-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
CID 125156002
N-(4-cyclohexylphenyl)-5-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 58794091
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
(1R,5S)-N-(4-cyclohexylphenyl)-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 133124499
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
(E)-1-(4-cyclohexylphenyl)-4-(4-methylpiperazin-1-yl)but-2-ene-1,4-dione
CID 150928682
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644158
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
CID 59558062

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide (CID 166373547) is N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is LTNLQDDUHKWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-11-13-21(14-12-20)18(22)19-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22).
What are the key properties of N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide?
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 166373547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).