(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide

C20H24N4O3 — CID 97454486

IUPAC(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESC[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(OCCc2ccccn2)cc1
InChIInChI=1S/C20H24N4O3/c1-15-19(25)23(2)12-13-24(15)20(26)22-17-6-8-18(9-7-17)27-14-10-16-5-3-4-11-21-16/h3-9,11,15H,10,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyZWJFVJCYIGLRHM-HNNXBMFYSA-N
MW368.44 g/mol
LogP2.40
Rot. Bonds5

About (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide

(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 97454486) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
PubChem CID97454486
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESC[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(OCCc2ccccn2)cc1
InChIInChI=1S/C20H24N4O3/c1-15-19(25)23(2)12-13-24(15)20(26)22-17-6-8-18(9-7-17)27-14-10-16-5-3-4-11-21-16/h3-9,11,15H,10,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyZWJFVJCYIGLRHM-HNNXBMFYSA-N
XLogP2.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
CID 72938452
2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118772558
4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 172911120
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125166583
8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50961999
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 118770858
4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 72933823
(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 17013548
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide (CID 97454486) is (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide is C[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(OCCc2ccccn2)cc1.
What is the InChIKey of (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is ZWJFVJCYIGLRHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-19(25)23(2)12-13-24(15)20(26)22-17-6-8-18(9-7-17)27-14-10-16-5-3-4-11-21-16/h3-9,11,15H,10,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 97454486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).