N-cycloheptyl-4-ethylpiperazine-1-carboxamide

C14H27N3O — CID 108988502

IUPACN-cycloheptyl-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-9-11-17(12-10-16)14(18)15-13-7-5-3-4-6-8-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyGTOAGWZHLFVFGM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.06
Rot. Bonds2

About N-cycloheptyl-4-ethylpiperazine-1-carboxamide

N-cycloheptyl-4-ethylpiperazine-1-carboxamide (PubChem CID 108988502) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cycloheptyl-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-ethylpiperazine-1-carboxamide
PubChem CID108988502
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-cycloheptyl-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-9-11-17(12-10-16)14(18)15-13-7-5-3-4-6-8-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyGTOAGWZHLFVFGM-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 113003723
N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960902
4-(2-amino-2-methylpropyl)-N-cyclohexylpiperazine-1-carboxamide
CID 120847763
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106139
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
N-cyclopentyl-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145772
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-ethylpiperazine-1-carboxamide (CID 108988502) is N-cycloheptyl-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-4-ethylpiperazine-1-carboxamide?
The InChIKey is GTOAGWZHLFVFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-16-9-11-17(12-10-16)14(18)15-13-7-5-3-4-6-8-13/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of N-cycloheptyl-4-ethylpiperazine-1-carboxamide?
N-cycloheptyl-4-ethylpiperazine-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 108988502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).