[1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate

C15H27F2N3O3 — CID 167812090

IUPAC[1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate
SMILESCCC(CNC(=O)N1CCC(OC(=O)N(C)C)CC1)C(C)(F)F
InChIInChI=1S/C15H27F2N3O3/c1-5-11(15(2,16)17)10-18-13(21)20-8-6-12(7-9-20)23-14(22)19(3)4/h11-12H,5-10H2,1-4H3,(H,18,21)
InChIKeyAXUHJSGINFWARG-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.54
Rot. Bonds5

About [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate

[1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate (PubChem CID 167812090) has the molecular formula C15H27F2N3O3 and a molecular weight of 335.40 g/mol. Its IUPAC name is [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate
PubChem CID167812090
Molecular FormulaC15H27F2N3O3
Molecular Weight335.40 g/mol
Exact Mass335.20
IUPAC Name[1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate
SMILESCCC(CNC(=O)N1CCC(OC(=O)N(C)C)CC1)C(C)(F)F
InChIInChI=1S/C15H27F2N3O3/c1-5-11(15(2,16)17)10-18-13(21)20-8-6-12(7-9-20)23-14(22)19(3)4/h11-12H,5-10H2,1-4H3,(H,18,21)
InChIKeyAXUHJSGINFWARG-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate with MolForge

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Related Compounds

(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
CID 135304476
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
cyclopropyl N,N-dimethylcarbamate
CID 91507793
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875769
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397
2-[[(4-tert-butylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226928
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598
1-[(3,3-dimethyl-2-methylsulfanylbutyl)carbamoyl]piperidine-4-carboxylic acid
CID 122009652
2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65217912
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
CID 125448685

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate (CID 167812090) is [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate is CCC(CNC(=O)N1CCC(OC(=O)N(C)C)CC1)C(C)(F)F.
What is the InChIKey of [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is AXUHJSGINFWARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O3/c1-5-11(15(2,16)17)10-18-13(21)20-8-6-12(7-9-20)23-14(22)19(3)4/h11-12H,5-10H2,1-4H3,(H,18,21).
What are the key properties of [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate?
[1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 335.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-3,3-difluorobutyl)carbamoyl]piperidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 167812090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).