ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate

C13H24N2O4 — CID 112543842

IUPACethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCCO)CN(C(C)=O)C1
InChIInChI=1S/C13H24N2O4/c1-3-19-13(18)14-12-7-11(5-4-6-16)8-15(9-12)10(2)17/h11-12,16H,3-9H2,1-2H3,(H,14,18)
InChIKeyAJYKRUNEMXHAHG-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.74
Rot. Bonds5

About ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate

ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate (PubChem CID 112543842) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
PubChem CID112543842
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCCO)CN(C(C)=O)C1
InChIInChI=1S/C13H24N2O4/c1-3-19-13(18)14-12-7-11(5-4-6-16)8-15(9-12)10(2)17/h11-12,16H,3-9H2,1-2H3,(H,14,18)
InChIKeyAJYKRUNEMXHAHG-UHFFFAOYSA-N
XLogP0.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
CID 112542681
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
CID 112542725
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate (CID 112543842) is ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CC(CCCO)CN(C(C)=O)C1.
What is the InChIKey of ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
The InChIKey is AJYKRUNEMXHAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-19-13(18)14-12-7-11(5-4-6-16)8-15(9-12)10(2)17/h11-12,16H,3-9H2,1-2H3,(H,14,18).
What are the key properties of ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).