3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate

C15H28N2O2 — CID 61278696

IUPAC3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
SMILESCC(C)CCOC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-12(2)7-11-19-15(18)14-4-3-10-17(14)13-5-8-16-9-6-13/h12-14,16H,3-11H2,1-2H3
InChIKeyYCIKTIMYNJIPQV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds5

About 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate

3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate (PubChem CID 61278696) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
PubChem CID61278696
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
SMILESCC(C)CCOC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-12(2)7-11-19-15(18)14-4-3-10-17(14)13-5-8-16-9-6-13/h12-14,16H,3-11H2,1-2H3
InChIKeyYCIKTIMYNJIPQV-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61150843
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020918
(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61285740
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
CID 57072792
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The IUPAC name of 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate (CID 61278696) is 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The canonical SMILES for 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate is CC(C)CCOC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The InChIKey is YCIKTIMYNJIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)7-11-19-15(18)14-4-3-10-17(14)13-5-8-16-9-6-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 61278696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).