methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate

C15H28N2O3 — CID 112543268

IUPACmethyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
SMILESCCCCC1CC(NC(=O)OC)CN(C(=O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-6-7-12-8-13(16-15(19)20-4)10-17(9-12)14(18)11(2)3/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyAUUAFQSYZSMQIT-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.41
Rot. Bonds5

About methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate

methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate (PubChem CID 112543268) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
PubChem CID112543268
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
SMILESCCCCC1CC(NC(=O)OC)CN(C(=O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-6-7-12-8-13(16-15(19)20-4)10-17(9-12)14(18)11(2)3/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyAUUAFQSYZSMQIT-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
CID 112543336
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83990429
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
CID 112542725
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate (CID 112543268) is methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate is CCCCC1CC(NC(=O)OC)CN(C(=O)C(C)C)C1.
What is the InChIKey of methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate?
The InChIKey is AUUAFQSYZSMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-7-12-8-13(16-15(19)20-4)10-17(9-12)14(18)11(2)3/h11-13H,5-10H2,1-4H3,(H,16,19).
What are the key properties of methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate?
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).