3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one

C17H30N2O2 — CID 170135646

IUPAC3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one
SMILESCC(=O)N1CC[C@@](C)(CCC(=O)N2CC[C@@H](C)CC2C)C1
InChIInChI=1S/C17H30N2O2/c1-13-6-9-19(14(2)11-13)16(21)5-7-17(4)8-10-18(12-17)15(3)20/h13-14H,5-12H2,1-4H3/t13-,14?,17-/m1/s1
InChIKeyCVBMFDPNDFNUFJ-SNVMCYLTSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds3

About 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one

3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one (PubChem CID 170135646) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one
PubChem CID170135646
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one
SMILESCC(=O)N1CC[C@@](C)(CCC(=O)N2CC[C@@H](C)CC2C)C1
InChIInChI=1S/C17H30N2O2/c1-13-6-9-19(14(2)11-13)16(21)5-7-17(4)8-10-18(12-17)15(3)20/h13-14H,5-12H2,1-4H3/t13-,14?,17-/m1/s1
InChIKeyCVBMFDPNDFNUFJ-SNVMCYLTSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one (CID 170135646) is 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one is CC(=O)N1CC[C@@](C)(CCC(=O)N2CC[C@@H](C)CC2C)C1.
What is the InChIKey of 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one?
The InChIKey is CVBMFDPNDFNUFJ-SNVMCYLTSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13-6-9-19(14(2)11-13)16(21)5-7-17(4)8-10-18(12-17)15(3)20/h13-14H,5-12H2,1-4H3/t13-,14?,17-/m1/s1.
What are the key properties of 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one?
3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-acetyl-3-methylpyrrolidin-3-yl]-1-[(4R)-2,4-dimethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 170135646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).