N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide

C22H36N4O — CID 113080706

IUPACN-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C22H36N4O/c1-4-24(5-2)20-11-12-21(18(3)17-20)25-13-15-26(16-14-25)22(27)23-19-9-7-6-8-10-19/h11-12,17,19H,4-10,13-16H2,1-3H3,(H,23,27)
InChIKeyLHZJLNIVJYNHJN-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.01
Rot. Bonds5

About N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide

N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide (PubChem CID 113080706) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
PubChem CID113080706
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC NameN-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C22H36N4O/c1-4-24(5-2)20-11-12-21(18(3)17-20)25-13-15-26(16-14-25)22(27)23-19-9-7-6-8-10-19/h11-12,17,19H,4-10,13-16H2,1-3H3,(H,23,27)
InChIKeyLHZJLNIVJYNHJN-UHFFFAOYSA-N
XLogP4.01
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]ethanone
CID 113080662
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139
4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103750
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105145
4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106359
4-[4-(diethylamino)-2-methylphenyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108473
N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191534
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113080691
N,N-diethyl-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)aniline
CID 113080714
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide (CID 113080706) is N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide is CCN(CC)c1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
The InChIKey is LHZJLNIVJYNHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-4-24(5-2)20-11-12-21(18(3)17-20)25-13-15-26(16-14-25)22(27)23-19-9-7-6-8-10-19/h11-12,17,19H,4-10,13-16H2,1-3H3,(H,23,27).
What are the key properties of N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113080706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).