N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide

C18H30N4O3 — CID 86854641

IUPACN-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C18H30N4O3/c1-14(23)19-11-15-3-2-6-20(12-15)13-17(24)21-7-9-22(10-8-21)18(25)16-4-5-16/h15-16H,2-13H2,1H3,(H,19,23)
InChIKeyZLWYNHJZYYROCG-UHFFFAOYSA-N
MW350.46 g/mol
LogP-0.08
Rot. Bonds5

About N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide

N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide (PubChem CID 86854641) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
PubChem CID86854641
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C18H30N4O3/c1-14(23)19-11-15-3-2-6-20(12-15)13-17(24)21-7-9-22(10-8-21)18(25)16-4-5-16/h15-16H,2-13H2,1H3,(H,19,23)
InChIKeyZLWYNHJZYYROCG-UHFFFAOYSA-N
XLogP-0.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
CID 119919525
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 55064854
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 86854756

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide (CID 86854641) is N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is ZLWYNHJZYYROCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-14(23)19-11-15-3-2-6-20(12-15)13-17(24)21-7-9-22(10-8-21)18(25)16-4-5-16/h15-16H,2-13H2,1H3,(H,19,23).
What are the key properties of N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 86854641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).