methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate

C15H26N2O3 — CID 112543231

IUPACmethyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
SMILESCCCC(=O)N1CC(CC2CC2)CC(NC(=O)OC)C1
InChIInChI=1S/C15H26N2O3/c1-3-4-14(18)17-9-12(7-11-5-6-11)8-13(10-17)16-15(19)20-2/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyUFOLMDADISUKAE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.16
Rot. Bonds5

About methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate

methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate (PubChem CID 112543231) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
PubChem CID112543231
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
SMILESCCCC(=O)N1CC(CC2CC2)CC(NC(=O)OC)C1
InChIInChI=1S/C15H26N2O3/c1-3-4-14(18)17-9-12(7-11-5-6-11)8-13(10-17)16-15(19)20-2/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyUFOLMDADISUKAE-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one
CID 83989168
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
N-(1-butanoyl-5-ethylpiperidin-3-yl)acetamide
CID 112541827
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543225
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542210
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate (CID 112543231) is methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate is CCCC(=O)N1CC(CC2CC2)CC(NC(=O)OC)C1.
What is the InChIKey of methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate?
The InChIKey is UFOLMDADISUKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-4-14(18)17-9-12(7-11-5-6-11)8-13(10-17)16-15(19)20-2/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate?
methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).