[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone

C19H30N4O2 — CID 72852619

IUPAC[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCCC1CN(c2cc(C(=O)N3CCOCC3)ccn2)CCN1C(C)C
InChIInChI=1S/C19H30N4O2/c1-4-17-14-22(7-8-23(17)15(2)3)18-13-16(5-6-20-18)19(24)21-9-11-25-12-10-21/h5-6,13,15,17H,4,7-12,14H2,1-3H3
InChIKeyAKMMCRLXIUOGIZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.86
Rot. Bonds4

About [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone

[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 72852619) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID72852619
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCCC1CN(c2cc(C(=O)N3CCOCC3)ccn2)CCN1C(C)C
InChIInChI=1S/C19H30N4O2/c1-4-17-14-22(7-8-23(17)15(2)3)18-13-16(5-6-20-18)19(24)21-9-11-25-12-10-21/h5-6,13,15,17H,4,7-12,14H2,1-3H3
InChIKeyAKMMCRLXIUOGIZ-UHFFFAOYSA-N
XLogP1.86
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56745157
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 29256413
5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 154567960
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
[3-(dimethylamino)phenyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 96578559
[2-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 164692926
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 164694880
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone (CID 72852619) is [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone is CCC1CN(c2cc(C(=O)N3CCOCC3)ccn2)CCN1C(C)C.
What is the InChIKey of [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is AKMMCRLXIUOGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-17-14-22(7-8-23(17)15(2)3)18-13-16(5-6-20-18)19(24)21-9-11-25-12-10-21/h5-6,13,15,17H,4,7-12,14H2,1-3H3.
What are the key properties of [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone?
[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 346.48 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72852619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).