2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide

C14H26N3O2+ — CID 9117216

IUPAC2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-13(18)9-16-4-6-17(7-5-16)14(19)12-8-11(12)3/h10-12H,4-9H2,1-3H3,(H,15,18)/p+1/t11-,12+/m0/s1
InChIKeyKPGIJQKKDHTGAH-NWDGAFQWSA-O
MW268.38 g/mol
LogP-1.11
Rot. Bonds4

About 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide

2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide (PubChem CID 9117216) has the molecular formula C14H26N3O2+ and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
PubChem CID9117216
Molecular FormulaC14H26N3O2+
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-13(18)9-16-4-6-17(7-5-16)14(19)12-8-11(12)3/h10-12H,4-9H2,1-3H3,(H,15,18)/p+1/t11-,12+/m0/s1
InChIKeyKPGIJQKKDHTGAH-NWDGAFQWSA-O
XLogP-1.11
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide
CID 9021482
N-(2-ethylphenyl)-2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide
CID 9022236
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(1-adamantyl)ethyl]acetamide
CID 8904443
2-[4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
CID 9226005
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
CID 7991243
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
N-propan-2-yl-2-[4-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide
CID 9378721
2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide
CID 7298280
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8597391
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9276356
2-[[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049698

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide (CID 9117216) is 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1.
What is the InChIKey of 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
The InChIKey is KPGIJQKKDHTGAH-NWDGAFQWSA-O. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)15-13(18)9-16-4-6-17(7-5-16)14(19)12-8-11(12)3/h10-12H,4-9H2,1-3H3,(H,15,18)/p+1/t11-,12+/m0/s1.
What are the key properties of 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide has a molecular weight of 268.38 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 9117216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).