N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C22H33N3O3 — CID 50779474

IUPACN-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCOc1cccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCCCC2)c1
InChIInChI=1S/C22H33N3O3/c1-28-20-10-6-7-18(17-20)22(27)25(19-8-4-2-3-5-9-19)14-11-21(26)24-15-12-23-13-16-24/h6-7,10,17,19,23H,2-5,8-9,11-16H2,1H3
InChIKeyQMGRFMPCCHZHEW-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.68
Rot. Bonds6

About N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779474) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779474
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCOc1cccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCCCC2)c1
InChIInChI=1S/C22H33N3O3/c1-28-20-10-6-7-18(17-20)22(27)25(19-8-4-2-3-5-9-19)14-11-21(26)24-15-12-23-13-16-24/h6-7,10,17,19,23H,2-5,8-9,11-16H2,1H3
InChIKeyQMGRFMPCCHZHEW-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
CID 20934287
4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779382
4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779320
3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333040
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146057245

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779474) is N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is QMGRFMPCCHZHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-28-20-10-6-7-18(17-20)22(27)25(19-8-4-2-3-5-9-19)14-11-21(26)24-15-12-23-13-16-24/h6-7,10,17,19,23H,2-5,8-9,11-16H2,1H3.
What are the key properties of N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 387.52 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).