(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one

C21H29N3O4 — CID 26334745

IUPAC(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](C(=O)N3CCN(C(C)=O)CC3)CCC2=O)cc1
InChIInChI=1S/C21H29N3O4/c1-16(25)22-11-13-23(14-12-22)21(27)18-5-8-20(26)24(15-18)10-9-17-3-6-19(28-2)7-4-17/h3-4,6-7,18H,5,8-15H2,1-2H3/t18-/m0/s1
InChIKeyRZKLQNCNNCZYSZ-SFHVURJKSA-N
MW387.48 g/mol
LogP1.17
Rot. Bonds5

About (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one

(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one (PubChem CID 26334745) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
PubChem CID26334745
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](C(=O)N3CCN(C(C)=O)CC3)CCC2=O)cc1
InChIInChI=1S/C21H29N3O4/c1-16(25)22-11-13-23(14-12-22)21(27)18-5-8-20(26)24(15-18)10-9-17-3-6-19(28-2)7-4-17/h3-4,6-7,18H,5,8-15H2,1-2H3/t18-/m0/s1
InChIKeyRZKLQNCNNCZYSZ-SFHVURJKSA-N
XLogP1.17
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
CID 72899093
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
(5S)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 42462493
N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 25280204
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 113184636
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 55918774
4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25295339
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3-carboxamide
CID 25384262
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one?
The IUPAC name of (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one (CID 26334745) is (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one?
The canonical SMILES for (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one is COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C(C)=O)CC3)CCC2=O)cc1.
What is the InChIKey of (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one?
The InChIKey is RZKLQNCNNCZYSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-16(25)22-11-13-23(14-12-22)21(27)18-5-8-20(26)24(15-18)10-9-17-3-6-19(28-2)7-4-17/h3-4,6-7,18H,5,8-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one?
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 26334745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).