methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate

C11H19NO3 — CID 169210735

IUPACmethyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C
InChIInChI=1S/C11H19NO3/c1-4-10(13)12-7-9(11(14)15-3)6-5-8(12)2/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyZDJZCCSBJKWBLE-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds2

About methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate

methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate (PubChem CID 169210735) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate
PubChem CID169210735
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C
InChIInChI=1S/C11H19NO3/c1-4-10(13)12-7-9(11(14)15-3)6-5-8(12)2/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyZDJZCCSBJKWBLE-DTWKUNHWSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-O-tert-butyl 3-O-methyl (3S,6R)-6-methylpiperidine-1,3-dicarboxylate
CID 59277660
methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate
CID 169210760
methyl (3R,6S)-1-[2-(3,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxylate
CID 169210737
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
methyl (2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylate
CID 89393988
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113995
6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122083544
1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one
CID 130900482

Frequently Asked Questions

What is the IUPAC name of methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate (CID 169210735) is methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate is CCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C.
What is the InChIKey of methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate?
The InChIKey is ZDJZCCSBJKWBLE-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-10(13)12-7-9(11(14)15-3)6-5-8(12)2/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate?
methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 169210735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).