2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone

C19H30N4O2 — CID 110133441

IUPAC2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CN(C)C1CCCC1
InChIInChI=1S/C19H30N4O2/c1-15-18(21-10-9-20-15)8-7-17-14-25-12-11-23(17)19(24)13-22(2)16-5-3-4-6-16/h9-10,16-17H,3-8,11-14H2,1-2H3
InChIKeyHBIOMCMVORZLPO-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.82
Rot. Bonds6

About 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone

2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (PubChem CID 110133441) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
PubChem CID110133441
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1nccnc1CCC1COCCN1C(=O)CN(C)C1CCCC1
InChIInChI=1S/C19H30N4O2/c1-15-18(21-10-9-20-15)8-7-17-14-25-12-11-23(17)19(24)13-22(2)16-5-3-4-6-16/h9-10,16-17H,3-8,11-14H2,1-2H3
InChIKeyHBIOMCMVORZLPO-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone (CID 110133441) is 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is Cc1nccnc1CCC1COCCN1C(=O)CN(C)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
The InChIKey is HBIOMCMVORZLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-18(21-10-9-20-15)8-7-17-14-25-12-11-23(17)19(24)13-22(2)16-5-3-4-6-16/h9-10,16-17H,3-8,11-14H2,1-2H3.
What are the key properties of 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone?
2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone has a molecular weight of 346.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 110133441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).