tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate

C17H24N2O3 — CID 60549057

IUPACtert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-14-10-7-11-19(12-14)15(20)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyXBQOOWBWJPAEGA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.82
Rot. Bonds2

About tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate

tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate (PubChem CID 60549057) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
PubChem CID60549057
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-14-10-7-11-19(12-14)15(20)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyXBQOOWBWJPAEGA-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(3-ethynylbenzoyl)piperidin-3-yl]carbamate
CID 170459132
benzyl N-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidin-3-yl]carbamate
CID 118033815
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate
CID 171396759
tert-butyl N-[(3S)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646626
tert-butyl N-[(3R)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646625
tert-butyl N-[(3S)-1-(3-amino-4-propan-2-yloxybenzoyl)piperidin-3-yl]carbamate
CID 171933176
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
CID 171661894
tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate
CID 86598057
tert-butyl N-[(3S)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 166934663

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate (CID 60549057) is tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate?
The InChIKey is XBQOOWBWJPAEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-14-10-7-11-19(12-14)15(20)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate?
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate is sourced from PubChem (CID 60549057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).