tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate

C17H24N2O3 — CID 153340105

IUPACtert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate
SMILESCc1ccc(C2CNC(=O)CC2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O3/c1-11-5-7-12(8-6-11)13-10-18-15(20)9-14(13)19-16(21)22-17(2,3)4/h5-8,13-14H,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyQOPDEEYGVVIPCZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate

tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate (PubChem CID 153340105) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate
PubChem CID153340105
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate
SMILESCc1ccc(C2CNC(=O)CC2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O3/c1-11-5-7-12(8-6-11)13-10-18-15(20)9-14(13)19-16(21)22-17(2,3)4/h5-8,13-14H,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyQOPDEEYGVVIPCZ-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
CID 134361248
[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
CID 69017536
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
CID 122360424
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one
CID 117209405

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate (CID 153340105) is tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate is Cc1ccc(C2CNC(=O)CC2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate?
The InChIKey is QOPDEEYGVVIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-5-7-12(8-6-11)13-10-18-15(20)9-14(13)19-16(21)22-17(2,3)4/h5-8,13-14H,9-10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate?
tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate is sourced from PubChem (CID 153340105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).