1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone

C16H28N2O2 — CID 170366373

IUPAC1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCCN(C(=O)C[C@@H]2CCCN2C(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-12(2)18-9-5-7-15(18)10-16(20)17-8-4-6-14(11-17)13(3)19/h12,14-15H,4-11H2,1-3H3/t14?,15-/m0/s1
InChIKeyJGRRECGTLHRQNW-LOACHALJSA-N
MW280.41 g/mol
LogP2.08
Rot. Bonds4

About 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone

1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone (PubChem CID 170366373) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
PubChem CID170366373
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCCN(C(=O)C[C@@H]2CCCN2C(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-12(2)18-9-5-7-15(18)10-16(20)17-8-4-6-14(11-17)13(3)19/h12,14-15H,4-11H2,1-3H3/t14?,15-/m0/s1
InChIKeyJGRRECGTLHRQNW-LOACHALJSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
(E)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pent-3-en-2-one
CID 170366422
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
CID 103163717
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
N-propan-2-yl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]acetamide
CID 163258628
(3S)-1-(2-propan-2-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 81126040

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone (CID 170366373) is 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone is CC(=O)C1CCCN(C(=O)C[C@@H]2CCCN2C(C)C)C1.
What is the InChIKey of 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The InChIKey is JGRRECGTLHRQNW-LOACHALJSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)18-9-5-7-15(18)10-16(20)17-8-4-6-14(11-17)13(3)19/h12,14-15H,4-11H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 170366373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).