3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide

C21H32N4O3 — CID 20934287

IUPAC3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCN2CCCCC2)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C21H32N4O3/c1-28-19-7-5-6-18(16-19)21(27)25(15-14-23-10-3-2-4-11-23)17-20(26)24-12-8-22-9-13-24/h5-7,16,22H,2-4,8-15,17H2,1H3
InChIKeyNHZZCXHVIBNIJP-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.06
Rot. Bonds7

About 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide

3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 20934287) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID20934287
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCN2CCCCC2)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C21H32N4O3/c1-28-19-7-5-6-18(16-19)21(27)25(15-14-23-10-3-2-4-11-23)17-20(26)24-12-8-22-9-13-24/h5-7,16,22H,2-4,8-15,17H2,1H3
InChIKeyNHZZCXHVIBNIJP-UHFFFAOYSA-N
XLogP1.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333040
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
N-[(3-chlorophenyl)methyl]-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779674
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146065491
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058429
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146057245
3-methoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10000728

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide (CID 20934287) is 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide is COc1cccc(C(=O)N(CCN2CCCCC2)CC(=O)N2CCNCC2)c1.
What is the InChIKey of 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is NHZZCXHVIBNIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-28-19-7-5-6-18(16-19)21(27)25(15-14-23-10-3-2-4-11-23)17-20(26)24-12-8-22-9-13-24/h5-7,16,22H,2-4,8-15,17H2,1H3.
What are the key properties of 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide?
3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 388.51 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 20934287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).