2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate

C11H21N3O3 — CID 166107612

IUPAC2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
SMILESCCNC(=O)N1CCCC(CCOC(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-2-13-11(16)14-6-3-4-9(8-14)5-7-17-10(12)15/h9H,2-8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyDQURSYLWHWCXID-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.91
Rot. Bonds4

About 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate

2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate (PubChem CID 166107612) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
PubChem CID166107612
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
SMILESCCNC(=O)N1CCCC(CCOC(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-2-13-11(16)14-6-3-4-9(8-14)5-7-17-10(12)15/h9H,2-8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyDQURSYLWHWCXID-UHFFFAOYSA-N
XLogP0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene
CID 166107611
3-(aminomethyl)-N-ethylazepane-1-carboxamide
CID 126983283
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
N,4-diethylazepane-1-carboxamide
CID 89043568
3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
CID 63766173
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
3-amino-N-ethylazetidine-1-carboxamide
CID 63766743
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-propylpiperidine-1-carboxamide
CID 18466872
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate?
The IUPAC name of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate (CID 166107612) is 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate.
What is the SMILES notation for 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate?
The canonical SMILES for 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate is CCNC(=O)N1CCCC(CCOC(N)=O)C1.
What is the InChIKey of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate?
The InChIKey is DQURSYLWHWCXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-13-11(16)14-6-3-4-9(8-14)5-7-17-10(12)15/h9H,2-8H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate?
2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate is sourced from PubChem (CID 166107612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).