methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate

C14H26N2O4 — CID 112543225

IUPACmethyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
SMILESCCC(=O)N1CC(CC(O)CC)CC(NC(=O)OC)C1
InChIInChI=1S/C14H26N2O4/c1-4-12(17)7-10-6-11(15-14(19)20-3)9-16(8-10)13(18)5-2/h10-12,17H,4-9H2,1-3H3,(H,15,19)
InChIKeyBJCFYZSYIFHGGO-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.13
Rot. Bonds5

About methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate

methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate (PubChem CID 112543225) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
PubChem CID112543225
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
SMILESCCC(=O)N1CC(CC(O)CC)CC(NC(=O)OC)C1
InChIInChI=1S/C14H26N2O4/c1-4-12(17)7-10-6-11(15-14(19)20-3)9-16(8-10)13(18)5-2/h10-12,17H,4-9H2,1-3H3,(H,15,19)
InChIKeyBJCFYZSYIFHGGO-UHFFFAOYSA-N
XLogP1.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783
methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543205
methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543231
1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
CID 83991645
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543038
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate (CID 112543225) is methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate is CCC(=O)N1CC(CC(O)CC)CC(NC(=O)OC)C1.
What is the InChIKey of methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate?
The InChIKey is BJCFYZSYIFHGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-12(17)7-10-6-11(15-14(19)20-3)9-16(8-10)13(18)5-2/h10-12,17H,4-9H2,1-3H3,(H,15,19).
What are the key properties of methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate?
methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).