(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one

C20H24N4O2 — CID 97026041

IUPAC(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H24N4O2/c1-4-18-19(25)22-9-10-24(18)20(26)16-11-15(12-21-13-16)14-5-7-17(8-6-14)23(2)3/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,22,25)/t18-/m0/s1
InChIKeyZFCLKABKTXQVMA-SFHVURJKSA-N
MW352.44 g/mol
LogP2.17
Rot. Bonds4

About (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one

(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one (PubChem CID 97026041) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one
PubChem CID97026041
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H24N4O2/c1-4-18-19(25)22-9-10-24(18)20(26)16-11-15(12-21-13-16)14-5-7-17(8-6-14)23(2)3/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,22,25)/t18-/m0/s1
InChIKeyZFCLKABKTXQVMA-SFHVURJKSA-N
XLogP2.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652315
1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
CID 126793563
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 63602774
(3S)-3-ethyl-4-[5-(methoxymethyl)pyridine-3-carbonyl]-1,4-diazepan-2-one
CID 138024641
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119648513
(3S)-3-ethyl-4-[4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]benzoyl]piperazin-2-one
CID 125437778
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
CID 113378431

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one?
The IUPAC name of (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one (CID 97026041) is (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one?
The canonical SMILES for (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one is CC[C@H]1C(=O)NCCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one?
The InChIKey is ZFCLKABKTXQVMA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-18-19(25)22-9-10-24(18)20(26)16-11-15(12-21-13-16)14-5-7-17(8-6-14)23(2)3/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one?
(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 97026041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).