1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone

C15H26N2O2 — CID 170366358

IUPAC1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-11(2)17-9-5-7-14(17)15(19)16-8-4-6-13(10-16)12(3)18/h11,13-14H,4-10H2,1-3H3/t13?,14-/m0/s1
InChIKeyBLOYFCHIYCHTSG-KZUDCZAMSA-N
MW266.38 g/mol
LogP1.69
Rot. Bonds3

About 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone

1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone (PubChem CID 170366358) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
PubChem CID170366358
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-11(2)17-9-5-7-14(17)15(19)16-8-4-6-13(10-16)12(3)18/h11,13-14H,4-10H2,1-3H3/t13?,14-/m0/s1
InChIKeyBLOYFCHIYCHTSG-KZUDCZAMSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366373
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
CID 154844605
(1-propan-2-ylpiperidin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 71930142
[(2R)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869089
[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869090
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 138029015
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone (CID 170366358) is 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1.
What is the InChIKey of 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone?
The InChIKey is BLOYFCHIYCHTSG-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)17-9-5-7-14(17)15(19)16-8-4-6-13(10-16)12(3)18/h11,13-14H,4-10H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone?
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone has a molecular weight of 266.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 170366358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).