methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate

C12H21NO3 — CID 6358680

IUPACmethyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@]1(C)CN(C)[C@@H](C)CC1=O
InChIInChI=1S/C12H21NO3/c1-9-7-10(14)12(2,8-13(9)3)6-5-11(15)16-4/h9H,5-8H2,1-4H3/t9-,12-/m0/s1
InChIKeyKIOGZDPPKUPOPV-CABZTGNLSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds3

About methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate

methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate (PubChem CID 6358680) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate
PubChem CID6358680
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@]1(C)CN(C)[C@@H](C)CC1=O
InChIInChI=1S/C12H21NO3/c1-9-7-10(14)12(2,8-13(9)3)6-5-11(15)16-4/h9H,5-8H2,1-4H3/t9-,12-/m0/s1
InChIKeyKIOGZDPPKUPOPV-CABZTGNLSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate with MolForge

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Related Compounds

methyl 3-[(3R,6R)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate
CID 2058555
methyl 3-(1-methyl-2-oxocycloheptyl)propanoate
CID 14691914
methyl 3-[(1R,4S,7R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]propanoate
CID 124528585
methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate
CID 79506636
methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982599
methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
CID 11593798
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
methyl 3-[4,6,10-trihydroxy-5,7-bis(3-methoxy-3-oxopropyl)-1,4,6,10-tetrazatricyclo[3.3.1.13,7]decan-3-yl]propanoate
CID 102482945
methyl 2-(2,4-dimethyl-6-oxocyclohex-3-en-1-yl)acetate
CID 141136140
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
methyl 3-[1-(sulfanylmethyl)cyclopropyl]propanoate
CID 87946009
(3R)-3-(3-methoxy-3-oxopropyl)-4-oxothiolane-3-carboxylic acid
CID 70362772

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate (CID 6358680) is methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate is COC(=O)CC[C@@]1(C)CN(C)[C@@H](C)CC1=O.
What is the InChIKey of methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate?
The InChIKey is KIOGZDPPKUPOPV-CABZTGNLSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-7-10(14)12(2,8-13(9)3)6-5-11(15)16-4/h9H,5-8H2,1-4H3/t9-,12-/m0/s1.
What are the key properties of methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate?
methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S,6S)-1,3,6-trimethyl-4-oxopiperidin-3-yl]propanoate is sourced from PubChem (CID 6358680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).