methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate

C15H28N2O2 — CID 117269976

IUPACmethyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(C2CCCN(C(C)C)C2)CN1
InChIInChI=1S/C15H28N2O2/c1-11(2)17-7-5-6-12(10-17)13-8-15(3,16-9-13)14(18)19-4/h11-13,16H,5-10H2,1-4H3
InChIKeyJOTNJKYSSUCGNZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds3

About methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate

methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate (PubChem CID 117269976) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
PubChem CID117269976
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(C2CCCN(C(C)C)C2)CN1
InChIInChI=1S/C15H28N2O2/c1-11(2)17-7-5-6-12(10-17)13-8-15(3,16-9-13)14(18)19-4/h11-13,16H,5-10H2,1-4H3
InChIKeyJOTNJKYSSUCGNZ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 117269892
methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate
CID 117258285
methyl 2-methyl-4-(thian-4-yl)pyrrolidine-2-carboxylate
CID 117269877
methyl 2-methyl-4-(thiolan-2-yl)pyrrolidine-2-carboxylate
CID 117269988
methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 115103232
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 117269973
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 117269861
methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
CID 117270087
methyl 1-methyl-2,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxylate
CID 86587087

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate (CID 117269976) is methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate is COC(=O)C1(C)CC(C2CCCN(C(C)C)C2)CN1.
What is the InChIKey of methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
The InChIKey is JOTNJKYSSUCGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)17-7-5-6-12(10-17)13-8-15(3,16-9-13)14(18)19-4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 117269976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).