N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide

C21H30N4O2 — CID 110640760

IUPACN-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
SMILESCN1C(=O)CCc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc21
InChIInChI=1S/C21H30N4O2/c1-23-19-9-8-18(15-16(19)7-10-20(23)26)24-11-13-25(14-12-24)21(27)22-17-5-3-2-4-6-17/h8-9,15,17H,2-7,10-14H2,1H3,(H,22,27)
InChIKeyUKWXUFWTCNDAPU-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.76
Rot. Bonds2

About N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide

N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide (PubChem CID 110640760) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
PubChem CID110640760
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
SMILESCN1C(=O)CCc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc21
InChIInChI=1S/C21H30N4O2/c1-23-19-9-8-18(15-16(19)7-10-20(23)26)24-11-13-25(14-12-24)21(27)22-17-5-3-2-4-6-17/h8-9,15,17H,2-7,10-14H2,1H3,(H,22,27)
InChIKeyUKWXUFWTCNDAPU-UHFFFAOYSA-N
XLogP2.76
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.76
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

N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543
6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 110414460
N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110414498
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
6-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110640755
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 167642656
N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide (CID 110640760) is N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide is CN1C(=O)CCc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc21.
What is the InChIKey of N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
The InChIKey is UKWXUFWTCNDAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23-19-9-8-18(15-16(19)7-10-20(23)26)24-11-13-25(14-12-24)21(27)22-17-5-3-2-4-6-17/h8-9,15,17H,2-7,10-14H2,1H3,(H,22,27).
What are the key properties of N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110640760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).