(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one

C18H30N4O2 — CID 124846522

IUPAC(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCOCCN(C)c1ccc(CN2CCNC(=O)[C@H]2CC(C)C)cn1
InChIInChI=1S/C18H30N4O2/c1-14(2)11-16-18(23)19-7-8-22(16)13-15-5-6-17(20-12-15)21(3)9-10-24-4/h5-6,12,14,16H,7-11,13H2,1-4H3,(H,19,23)/t16-/m1/s1
InChIKeyIXJXVNHAHWOZLU-MRXNPFEDSA-N
MW334.46 g/mol
LogP1.51
Rot. Bonds8

About (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one

(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 124846522) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID124846522
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCOCCN(C)c1ccc(CN2CCNC(=O)[C@H]2CC(C)C)cn1
InChIInChI=1S/C18H30N4O2/c1-14(2)11-16-18(23)19-7-8-22(16)13-15-5-6-17(20-12-15)21(3)9-10-24-4/h5-6,12,14,16H,7-11,13H2,1-4H3,(H,19,23)/t16-/m1/s1
InChIKeyIXJXVNHAHWOZLU-MRXNPFEDSA-N
XLogP1.51
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one (CID 124846522) is (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one is COCCN(C)c1ccc(CN2CCNC(=O)[C@H]2CC(C)C)cn1.
What is the InChIKey of (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is IXJXVNHAHWOZLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)11-16-18(23)19-7-8-22(16)13-15-5-6-17(20-12-15)21(3)9-10-24-4/h5-6,12,14,16H,7-11,13H2,1-4H3,(H,19,23)/t16-/m1/s1.
What are the key properties of (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one?
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 334.46 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 124846522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).