N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide

C21H28N4O — CID 113110634

IUPACN-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C21H28N4O/c26-21(23-18-9-3-1-2-4-10-18)25-15-13-24(14-16-25)19-11-5-7-17-8-6-12-22-20(17)19/h5-8,11-12,18H,1-4,9-10,13-16H2,(H,23,26)
InChIKeyXYSDZSYEKKLHDB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.79
Rot. Bonds2

About N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide

N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113110634) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113110634
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C21H28N4O/c26-21(23-18-9-3-1-2-4-10-18)25-15-13-24(14-16-25)19-11-5-7-17-8-6-12-22-20(17)19/h5-8,11-12,18H,1-4,9-10,13-16H2,(H,23,26)
InChIKeyXYSDZSYEKKLHDB-UHFFFAOYSA-N
XLogP3.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113076124
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide (CID 113110634) is N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide is O=C(NC1CCCCCC1)N1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is XYSDZSYEKKLHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(23-18-9-3-1-2-4-10-18)25-15-13-24(14-16-25)19-11-5-7-17-8-6-12-22-20(17)19/h5-8,11-12,18H,1-4,9-10,13-16H2,(H,23,26).
What are the key properties of N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide?
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113110634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).