(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone

C19H30N4O2 — CID 56745157

IUPAC(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccc(N3CCOCC3)nc2)CCN1C(C)C
InChIInChI=1S/C19H30N4O2/c1-4-17-14-22(7-8-23(17)15(2)3)19(24)16-5-6-18(20-13-16)21-9-11-25-12-10-21/h5-6,13,15,17H,4,7-12,14H2,1-3H3
InChIKeyYRRSBZRMWCXLBQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.86
Rot. Bonds4

About (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone

(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 56745157) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID56745157
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccc(N3CCOCC3)nc2)CCN1C(C)C
InChIInChI=1S/C19H30N4O2/c1-4-17-14-22(7-8-23(17)15(2)3)19(24)16-5-6-18(20-13-16)21-9-11-25-12-10-21/h5-6,13,15,17H,4,7-12,14H2,1-3H3
InChIKeyYRRSBZRMWCXLBQ-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 (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

[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
[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 72852619
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone
CID 45191322
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 156605295
N,N-dimethyl-4-(6-morpholin-4-ylpyridine-3-carbonyl)piperazine-1-sulfonamide
CID 32505460
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 46515997
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone (CID 56745157) is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone is CCC1CN(C(=O)c2ccc(N3CCOCC3)nc2)CCN1C(C)C.
What is the InChIKey of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is YRRSBZRMWCXLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-17-14-22(7-8-23(17)15(2)3)19(24)16-5-6-18(20-13-16)21-9-11-25-12-10-21/h5-6,13,15,17H,4,7-12,14H2,1-3H3.
What are the key properties of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone?
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone 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 (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 56745157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).