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

C14H26N2O4 — CID 112543863

IUPACethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCCO)CN(C(=O)CC)C1
InChIInChI=1S/C14H26N2O4/c1-3-13(18)16-9-11(6-5-7-17)8-12(10-16)15-14(19)20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,19)
InChIKeyIRIMNWBVMCNKRY-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.13
Rot. Bonds6

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

ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate (PubChem CID 112543863) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
PubChem CID112543863
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCCO)CN(C(=O)CC)C1
InChIInChI=1S/C14H26N2O4/c1-3-13(18)16-9-11(6-5-7-17)8-12(10-16)15-14(19)20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,19)
InChIKeyIRIMNWBVMCNKRY-UHFFFAOYSA-N
XLogP1.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
CID 112542725
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
CID 112542681
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-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate (CID 112543863) is ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate is CCOC(=O)NC1CC(CCCO)CN(C(=O)CC)C1.
What is the InChIKey of ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate?
The InChIKey is IRIMNWBVMCNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-13(18)16-9-11(6-5-7-17)8-12(10-16)15-14(19)20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,19).
What are the key properties of ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate?
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).