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

C14H26N2O2 — CID 115103232

IUPACmethyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C2CCCN(C(C)C)C2)CCCN1
InChIInChI=1S/C14H26N2O2/c1-11(2)16-9-4-6-12(10-16)14(13(17)18-3)7-5-8-15-14/h11-12,15H,4-10H2,1-3H3
InChIKeyOQUIZKFIHSZQJW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

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

methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate (PubChem CID 115103232) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
PubChem CID115103232
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C2CCCN(C(C)C)C2)CCCN1
InChIInChI=1S/C14H26N2O2/c1-11(2)16-9-4-6-12(10-16)14(13(17)18-3)7-5-8-15-14/h11-12,15H,4-10H2,1-3H3
InChIKeyOQUIZKFIHSZQJW-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-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

methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
methyl 2-azabicyclo[3.2.0]heptane-1-carboxylate;hydrochloride
CID 165496032
methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 117269976
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
CID 155088145
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668
4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 120645530
methyl 2-(oxolan-2-yl)piperidine-2-carboxylate
CID 115103593
methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate
CID 117258285
methyl 4-(cyclopropylmethylamino)-1-propan-2-ylazepane-4-carboxylate
CID 65076110
methyl (2S)-2-propan-2-ylpyrrolidine-2-carboxylate;hydrochloride
CID 162342607

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate (CID 115103232) is methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate is COC(=O)C1(C2CCCN(C(C)C)C2)CCCN1.
What is the InChIKey of methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
The InChIKey is OQUIZKFIHSZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)16-9-4-6-12(10-16)14(13(17)18-3)7-5-8-15-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate?
methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115103232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).