2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone

C15H28N2O2 — CID 133110911

IUPAC2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(C)[C@@]1(O)CN(CC(=O)N2CCCCC2)C[C@@H]1C
InChIInChI=1S/C15H28N2O2/c1-12(2)15(19)11-16(9-13(15)3)10-14(18)17-7-5-4-6-8-17/h12-13,19H,4-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyWASKRQPKAMRQCI-ZFWWWQNUSA-N
MW268.40 g/mol
LogP1.34
Rot. Bonds3

About 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone

2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 133110911) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID133110911
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(C)[C@@]1(O)CN(CC(=O)N2CCCCC2)C[C@@H]1C
InChIInChI=1S/C15H28N2O2/c1-12(2)15(19)11-16(9-13(15)3)10-14(18)17-7-5-4-6-8-17/h12-13,19H,4-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyWASKRQPKAMRQCI-ZFWWWQNUSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 133110911) is 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone is CC(C)[C@@]1(O)CN(CC(=O)N2CCCCC2)C[C@@H]1C.
What is the InChIKey of 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is WASKRQPKAMRQCI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)15(19)11-16(9-13(15)3)10-14(18)17-7-5-4-6-8-17/h12-13,19H,4-11H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 268.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 133110911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).