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

C14H24N2O2 — CID 176811859

IUPAC2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-11(2)13(17)16-9-5-6-12(10-16)14(18)15-7-3-4-8-15/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyNBTNCJPCBMTCBV-LBPRGKRZSA-N
MW252.36 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 176811859) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID176811859
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-11(2)13(17)16-9-5-6-12(10-16)14(18)15-7-3-4-8-15/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyNBTNCJPCBMTCBV-LBPRGKRZSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 176811859) is 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is NBTNCJPCBMTCBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)13(17)16-9-5-6-12(10-16)14(18)15-7-3-4-8-15/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176811859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).