3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C24H32N4O3 — CID 20934294

IUPAC3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCOc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-10-5-7-19(15-22)17-28(18-23(29)27-13-11-25-12-14-27)24(30)20-8-6-9-21(16-20)26(2)3/h5-10,15-16,25H,4,11-14,17-18H2,1-3H3
InChIKeyICCBKJGKAWMLPF-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.23
Rot. Bonds8

About 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 20934294) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID20934294
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCOc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-10-5-7-19(15-22)17-28(18-23(29)27-13-11-25-12-14-27)24(30)20-8-6-9-21(16-20)26(2)3/h5-10,15-16,25H,4,11-14,17-18H2,1-3H3
InChIKeyICCBKJGKAWMLPF-UHFFFAOYSA-N
XLogP2.23
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333123
3-bromo-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333110
3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
CID 20934261
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119454800
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058429
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
CID 28916795
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333040
4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide
CID 20934235
3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779334
N-[(3-chlorophenyl)methyl]-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779674

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 20934294) is 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is CCOc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is ICCBKJGKAWMLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-31-22-10-5-7-19(15-22)17-28(18-23(29)27-13-11-25-12-14-27)24(30)20-8-6-9-21(16-20)26(2)3/h5-10,15-16,25H,4,11-14,17-18H2,1-3H3.
What are the key properties of 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 20934294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).