1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone

C18H32N4O2 — CID 119851394

IUPAC1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C18H32N4O2/c1-15-6-3-5-9-22(15)17(23)14-20-10-12-21(13-11-20)18(24)16-7-2-4-8-19-16/h15-16,19H,2-14H2,1H3
InChIKeyJUMRWJCNZQDFDA-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.67
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone

1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 119851394) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID119851394
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C18H32N4O2/c1-15-6-3-5-9-22(15)17(23)14-20-10-12-21(13-11-20)18(24)16-7-2-4-8-19-16/h15-16,19H,2-14H2,1H3
InChIKeyJUMRWJCNZQDFDA-UHFFFAOYSA-N
XLogP0.67
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851432
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 93375251
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
N-cyclohexyl-N-methyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide
CID 119876689

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone (CID 119851394) is 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone is CC1CCCCN1C(=O)CN1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JUMRWJCNZQDFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-15-6-3-5-9-22(15)17(23)14-20-10-12-21(13-11-20)18(24)16-7-2-4-8-19-16/h15-16,19H,2-14H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 336.48 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119851394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).