N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide

C23H34N4O3 — CID 78818972

IUPACN-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)C(C)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H34N4O3/c1-18(23(30)24-21-10-6-5-9-20(21)19(2)28)26-15-13-25(14-16-26)17-22(29)27-11-7-3-4-8-12-27/h5-6,9-10,18H,3-4,7-8,11-17H2,1-2H3,(H,24,30)
InChIKeyPMNOWDSJVLGSMC-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.24
Rot. Bonds6

About N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide

N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 78818972) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID78818972
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)C(C)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H34N4O3/c1-18(23(30)24-21-10-6-5-9-20(21)19(2)28)26-15-13-25(14-16-26)17-22(29)27-11-7-3-4-8-12-27/h5-6,9-10,18H,3-4,7-8,11-17H2,1-2H3,(H,24,30)
InChIKeyPMNOWDSJVLGSMC-UHFFFAOYSA-N
XLogP2.24
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632833
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632840
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 30723498
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30721120

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide (CID 78818972) is N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide is CC(=O)c1ccccc1NC(=O)C(C)N1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is PMNOWDSJVLGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-18(23(30)24-21-10-6-5-9-20(21)19(2)28)26-15-13-25(14-16-26)17-22(29)27-11-7-3-4-8-12-27/h5-6,9-10,18H,3-4,7-8,11-17H2,1-2H3,(H,24,30).
What are the key properties of N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 414.55 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78818972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).