(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone

C19H28N4O2 — CID 109084452

IUPAC(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)N3CCCC(C)C3)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-21-9-11-22(12-10-21)18(24)16-6-7-20-17(13-16)19(25)23-8-4-5-15(2)14-23/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyVXNSIDUDBBBJBM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.73
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone (PubChem CID 109084452) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
PubChem CID109084452
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)N3CCCC(C)C3)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-21-9-11-22(12-10-21)18(24)16-6-7-20-17(13-16)19(25)23-8-4-5-15(2)14-23/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyVXNSIDUDBBBJBM-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

Analyze (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081659
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109090134
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186812
[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218091

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone (CID 109084452) is (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone is CCN1CCN(C(=O)c2ccnc(C(=O)N3CCCC(C)C3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
The InChIKey is VXNSIDUDBBBJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-21-9-11-22(12-10-21)18(24)16-6-7-20-17(13-16)19(25)23-8-4-5-15(2)14-23/h6-7,13,15H,3-5,8-12,14H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]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 (4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone is sourced from PubChem (CID 109084452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).