N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide

C18H33N3O2 — CID 108960902

IUPACN-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCCN1CCN(C(=O)C(C)(C)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-4-20-11-13-21(14-12-20)17(23)18(2,3)16(22)19-15-9-7-5-6-8-10-15/h15H,4-14H2,1-3H3,(H,19,22)
InChIKeyKTIWIJYMJIRYRM-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.02
Rot. Bonds4

About N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide

N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide (PubChem CID 108960902) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
PubChem CID108960902
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCCN1CCN(C(=O)C(C)(C)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-4-20-11-13-21(14-12-20)17(23)18(2,3)16(22)19-15-9-7-5-6-8-10-15/h15H,4-14H2,1-3H3,(H,19,22)
InChIKeyKTIWIJYMJIRYRM-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 113003723
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
N-cyclopentyl-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145772
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
4-(2-amino-2-methylpropyl)-N-cyclohexylpiperazine-1-carboxamide
CID 120847763
N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108957439
N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108958979
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950
N-cyclopentyl-2,2-dimethylbutanamide
CID 4627793
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108960910

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide (CID 108960902) is N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide is CCN1CCN(C(=O)C(C)(C)C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The InChIKey is KTIWIJYMJIRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-20-11-13-21(14-12-20)17(23)18(2,3)16(22)19-15-9-7-5-6-8-10-15/h15H,4-14H2,1-3H3,(H,19,22).
What are the key properties of N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide?
N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide has a molecular weight of 323.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108960902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).