tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate

C17H24N2O4 — CID 134361248

IUPACtert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
SMILESCOc1ccc(C2CC(=O)NC[C@H]2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-14-10-18-15(20)9-13(14)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,18,20)(H,19,21)/t13?,14-/m1/s1
InChIKeyKQVWPLHRPDWBMK-ARLHGKGLSA-N
MW320.39 g/mol
LogP2.19
Rot. Bonds3

About tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate

tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate (PubChem CID 134361248) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
PubChem CID134361248
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
SMILESCOc1ccc(C2CC(=O)NC[C@H]2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-14-10-18-15(20)9-13(14)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,18,20)(H,19,21)/t13?,14-/m1/s1
InChIKeyKQVWPLHRPDWBMK-ARLHGKGLSA-N
XLogP2.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 135251327
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate
CID 153340105
[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
CID 69017536
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
CID 122360424
tert-butyl N-[(1R,2S,3S,4S)-3-hydroxy-2-(4-methoxyphenyl)-1-oxothian-4-yl]carbamate
CID 11142803
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate (CID 134361248) is tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate is COc1ccc(C2CC(=O)NC[C@H]2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate?
The InChIKey is KQVWPLHRPDWBMK-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-14-10-18-15(20)9-13(14)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,18,20)(H,19,21)/t13?,14-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate?
tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 134361248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).