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

C18H32N4O2 — CID 56879136

IUPAC1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCCC(C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C18H32N4O2/c1-15(23)20-8-5-17(6-9-20)22-7-3-4-16(14-22)18(24)21-12-10-19(2)11-13-21/h16-17H,3-14H2,1-2H3
InChIKeyQWVYUQQTPGOQNH-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.48
Rot. Bonds2

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

1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 56879136) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID56879136
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCCC(C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C18H32N4O2/c1-15(23)20-8-5-17(6-9-20)22-7-3-4-16(14-22)18(24)21-12-10-19(2)11-13-21/h16-17H,3-14H2,1-2H3
InChIKeyQWVYUQQTPGOQNH-UHFFFAOYSA-N
XLogP0.48
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95557669
2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562754
2-methoxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562753
3-cyclopropyl-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95403082
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 95558760
3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 56875238
1-[4-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 146290512
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
[(3R)-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 95554331
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 56879136) is 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCCC(C(=O)N3CCN(C)CC3)C2)CC1.
What is the InChIKey of 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is QWVYUQQTPGOQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-15(23)20-8-5-17(6-9-20)22-7-3-4-16(14-22)18(24)21-12-10-19(2)11-13-21/h16-17H,3-14H2,1-2H3.
What are the key properties of 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 336.48 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56879136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).