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

C14H26N2O3 — CID 44550099

IUPACmethyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate
SMILES[2H]C1(C(=O)N(CCC)CCC)CCCCN1C(=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/i12D
InChIKeyYOTFYCCWKDVRII-UQBWLURTSA-N
MW271.38 g/mol
LogP2.26
Rot. Bonds5

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

methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate (PubChem CID 44550099) has the molecular formula C14H26N2O3 and a molecular weight of 271.38 g/mol. Its IUPAC name is methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate
PubChem CID44550099
Molecular FormulaC14H26N2O3
Molecular Weight271.38 g/mol
Exact Mass271.20
IUPAC Namemethyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate
SMILES[2H]C1(C(=O)N(CCC)CCC)CCCCN1C(=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/i12D
InChIKeyYOTFYCCWKDVRII-UQBWLURTSA-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 ≤ 500271.38
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 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate (CID 44550099) is methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate is [2H]C1(C(=O)N(CCC)CCC)CCCCN1C(=O)OC.
What is the InChIKey of methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is YOTFYCCWKDVRII-UQBWLURTSA-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/i12D.
What are the key properties of methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate?
methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 271.38 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 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 44550099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).