1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

C13H22N2O2 — CID 94582648

IUPAC1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-2-12(16)15-9-5-6-11(10-15)13(17)14-7-3-4-8-14/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyASOQSVYHZYFFMG-NSHDSACASA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds2

About 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 94582648) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID94582648
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-2-12(16)15-9-5-6-11(10-15)13(17)14-7-3-4-8-14/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyASOQSVYHZYFFMG-NSHDSACASA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 94582648) is 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is ASOQSVYHZYFFMG-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-12(16)15-9-5-6-11(10-15)13(17)14-7-3-4-8-14/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 238.33 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 94582648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).