[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C19H28N4O2 — CID 109081659

IUPAC[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-21-10-12-23(13-11-21)19(25)17-14-16(4-7-20-17)18(24)22-8-5-15(2)6-9-22/h4,7,14-15H,3,5-6,8-13H2,1-2H3
InChIKeyGNDVLKBGTMCCBJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.73
Rot. Bonds3

About [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109081659) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109081659
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-21-10-12-23(13-11-21)19(25)17-14-16(4-7-20-17)18(24)22-8-5-15(2)6-9-22/h4,7,14-15H,3,5-6,8-13H2,1-2H3
InChIKeyGNDVLKBGTMCCBJ-UHFFFAOYSA-N
XLogP1.73
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109081659) is [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CCN1CCN(C(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)CC1.
What is the InChIKey of [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GNDVLKBGTMCCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-21-10-12-23(13-11-21)19(25)17-14-16(4-7-20-17)18(24)22-8-5-15(2)6-9-22/h4,7,14-15H,3,5-6,8-13H2,1-2H3.
What are the key properties of [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109081659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).