2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

C19H33N3O3 — CID 45194367

IUPAC2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C19H33N3O3/c1-21(10-6-15-7-12-25-13-8-15)18(23)14-17-19(24)20-9-11-22(17)16-4-2-3-5-16/h15-17H,2-14H2,1H3,(H,20,24)
InChIKeyKFHGHHXFSJYRGB-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.39
Rot. Bonds6

About 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 45194367) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID45194367
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C19H33N3O3/c1-21(10-6-15-7-12-25-13-8-15)18(23)14-17-19(24)20-9-11-22(17)16-4-2-3-5-16/h15-17H,2-14H2,1H3,(H,20,24)
InChIKeyKFHGHHXFSJYRGB-UHFFFAOYSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-isobutyl-3-oxopiperazin-2-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16190692
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 16191798
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16187712
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190846
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 45206857
3-{2-[4-(Methoxymethyl)-1-piperidinyl]-2-oxoethyl}-4-(3-methylbutyl)-2-piperazinone
CID 45239437
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 45247246
N-methyl-2-[1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
CID 126461949
N-(5-oxo-1-propylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide formate
CID 131911120
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 25446367
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 25446373
N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
CID 26395714

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (CID 45194367) is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is CN(CCC1CCOCC1)C(=O)CC1C(=O)NCCN1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is KFHGHHXFSJYRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-21(10-6-15-7-12-25-13-8-15)18(23)14-17-19(24)20-9-11-22(17)16-4-2-3-5-16/h15-17H,2-14H2,1H3,(H,20,24).
What are the key properties of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 45194367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).