1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone

C16H28N4O2 — CID 119919525

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C16H28N4O2/c1-17-14-3-2-6-18(11-14)12-15(21)19-7-9-20(10-8-19)16(22)13-4-5-13/h13-14,17H,2-12H2,1H3
InChIKeyNKOHQVKOHALWHV-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.25
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 119919525) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
PubChem CID119919525
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C16H28N4O2/c1-17-14-3-2-6-18(11-14)12-15(21)19-7-9-20(10-8-19)16(22)13-4-5-13/h13-14,17H,2-12H2,1H3
InChIKeyNKOHQVKOHALWHV-UHFFFAOYSA-N
XLogP-0.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 62545473
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62546511
N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
CID 86854641
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920121
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119920308
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119918659
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119919292
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
CID 119919779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone (CID 119919525) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone is CNC1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is NKOHQVKOHALWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-17-14-3-2-6-18(11-14)12-15(21)19-7-9-20(10-8-19)16(22)13-4-5-13/h13-14,17H,2-12H2,1H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 119919525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).