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

C16H28N4O2 — CID 119851376

IUPAC2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C16H28N4O2/c1-13-4-2-3-7-20(13)14(21)12-18-8-10-19(11-9-18)15(22)16(17)5-6-16/h13H,2-12,17H2,1H3
InChIKeyRHNJUFXFJMNNBZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.02
Rot. Bonds3

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

2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 119851376) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID119851376
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C16H28N4O2/c1-13-4-2-3-7-20(13)14(21)12-18-8-10-19(11-9-18)15(22)16(17)5-6-16/h13H,2-12,17H2,1H3
InChIKeyRHNJUFXFJMNNBZ-UHFFFAOYSA-N
XLogP0.02
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide
CID 101398587
N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
CID 97398729
2-(2,2-dimethylpiperidin-1-yl)-N-[2-[[2-(2,2-dimethylpiperidin-1-yl)-2-methylpropanoyl]amino]ethyl]-2-methylpropanamide
CID 20494010
3,3,5,5-Tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
CID 20741656
3,3,4,5,5-Pentamethyl-1-[12-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)dodecyl]piperazin-2-one
CID 21055549
(4-Tert-butylpiperazin-1-yl)-piperidin-2-ylmethanone
CID 21061579
3,3,4,5,5-Pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one
CID 21136883
3,3,5,5-Tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
CID 21136886
2-[3-Oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
CID 22980201
3-[3-Oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 22980204
1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]-4-methylpiperazine-2,5-dione
CID 44465145

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 119851376) is 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1CCN(C(=O)C2(N)CC2)CC1.
What is the InChIKey of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is RHNJUFXFJMNNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13-4-2-3-7-20(13)14(21)12-18-8-10-19(11-9-18)15(22)16(17)5-6-16/h13H,2-12,17H2,1H3.
What are the key properties of 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 308.43 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119851376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).