N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

C15H27N3O2 — CID 108944377

IUPACN-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-17-8-10-18(11-9-17)15(20)12-14(19)16-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,16,19)
InChIKeyLQSMMQWLJCOIQD-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.99
Rot. Bonds3

About N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (PubChem CID 108944377) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
PubChem CID108944377
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-17-8-10-18(11-9-17)15(20)12-14(19)16-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,16,19)
InChIKeyLQSMMQWLJCOIQD-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.99
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

3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
N-cyclooctylpropanamide
CID 3387497
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The IUPAC name of N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (CID 108944377) is N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is CN1CCN(C(=O)CC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The InChIKey is LQSMMQWLJCOIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-17-8-10-18(11-9-17)15(20)12-14(19)16-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,16,19).
What are the key properties of N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide has a molecular weight of 281.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).