1-(1-carbamoylpiperidin-4-yl)ethyl acetate

C10H18N2O3 — CID 174509053

IUPAC1-(1-carbamoylpiperidin-4-yl)ethyl acetate
SMILESCC(=O)OC(C)C1CCN(C(N)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-7(15-8(2)13)9-3-5-12(6-4-9)10(11)14/h7,9H,3-6H2,1-2H3,(H2,11,14)
InChIKeyHHXROCVLHGZASA-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.73
Rot. Bonds2

About 1-(1-carbamoylpiperidin-4-yl)ethyl acetate

1-(1-carbamoylpiperidin-4-yl)ethyl acetate (PubChem CID 174509053) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(1-carbamoylpiperidin-4-yl)ethyl acetate.

Molecular Properties

Compound Name1-(1-carbamoylpiperidin-4-yl)ethyl acetate
PubChem CID174509053
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(1-carbamoylpiperidin-4-yl)ethyl acetate
SMILESCC(=O)OC(C)C1CCN(C(N)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-7(15-8(2)13)9-3-5-12(6-4-9)10(11)14/h7,9H,3-6H2,1-2H3,(H2,11,14)
InChIKeyHHXROCVLHGZASA-UHFFFAOYSA-N
XLogP0.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylethyl acetate
CID 12705472
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxamide
CID 81386220
4-methylsulfonylpiperidine-1-carboxamide
CID 130659169
[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175284066
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
4-(methylamino)piperidine-1-carboxamide
CID 43754889
4-(2-methylbutylamino)piperidine-1-carboxamide
CID 62692212
4-sulfanylpiperidine-1-carboxamide
CID 165469353
1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
CID 174642719
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763

Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamoylpiperidin-4-yl)ethyl acetate?
The IUPAC name of 1-(1-carbamoylpiperidin-4-yl)ethyl acetate (CID 174509053) is 1-(1-carbamoylpiperidin-4-yl)ethyl acetate.
What is the SMILES notation for 1-(1-carbamoylpiperidin-4-yl)ethyl acetate?
The canonical SMILES for 1-(1-carbamoylpiperidin-4-yl)ethyl acetate is CC(=O)OC(C)C1CCN(C(N)=O)CC1.
What is the InChIKey of 1-(1-carbamoylpiperidin-4-yl)ethyl acetate?
The InChIKey is HHXROCVLHGZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(15-8(2)13)9-3-5-12(6-4-9)10(11)14/h7,9H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 1-(1-carbamoylpiperidin-4-yl)ethyl acetate?
1-(1-carbamoylpiperidin-4-yl)ethyl acetate has a molecular weight of 214.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamoylpiperidin-4-yl)ethyl acetate is sourced from PubChem (CID 174509053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).