2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

C19H34N4O3 — CID 95562754

IUPAC2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C19H34N4O3/c1-20-10-12-22(13-11-20)19(25)16-4-3-7-23(14-16)17-5-8-21(9-6-17)18(24)15-26-2/h16-17H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyAOEDTRUBIPHAJW-INIZCTEOSA-N
MW366.51 g/mol
LogP0.11
Rot. Bonds4

About 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 95562754) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID95562754
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C19H34N4O3/c1-20-10-12-22(13-11-20)19(25)16-4-3-7-23(14-16)17-5-8-21(9-6-17)18(24)15-26-2/h16-17H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyAOEDTRUBIPHAJW-INIZCTEOSA-N
XLogP0.11
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562753
2-hydroxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95229160
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
3-cyclopropyl-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95403082
N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95557669
3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 56875238
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 70742658
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 95558760
4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 70735176
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 95562754) is 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is AOEDTRUBIPHAJW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-20-10-12-22(13-11-20)19(25)16-4-3-7-23(14-16)17-5-8-21(9-6-17)18(24)15-26-2/h16-17H,3-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95562754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).