methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate

C14H26N2O3 — CID 10890952

IUPACmethyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
SMILESCCCN(CCC)C(=O)[C@@H]1CCCCN1C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-9-15(10-5-2)13(17)12-8-6-7-11-16(12)14(18)19-3/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyYOTFYCCWKDVRII-LBPRGKRZSA-N
MW270.37 g/mol
LogP2.26
Rot. Bonds5

About methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate

methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate (PubChem CID 10890952) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
PubChem CID10890952
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
SMILESCCCN(CCC)C(=O)[C@@H]1CCCCN1C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-9-15(10-5-2)13(17)12-8-6-7-11-16(12)14(18)19-3/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyYOTFYCCWKDVRII-LBPRGKRZSA-N
XLogP2.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate (CID 10890952) is methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate is CCCN(CCC)C(=O)[C@@H]1CCCCN1C(=O)OC.
What is the InChIKey of methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is YOTFYCCWKDVRII-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-9-15(10-5-2)13(17)12-8-6-7-11-16(12)14(18)19-3/h12H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 10890952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).