tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate

C20H30N4O4 — CID 166022561

IUPACtert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
SMILESCc1cc(NC(=O)C(=O)[C@]2(C)CC[C@@H](C)CN2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H30N4O4/c1-12-7-8-20(6,22-10-12)15(25)17(26)23-14-9-13(2)16(21-11-14)24-18(27)28-19(3,4)5/h9,11-12,22H,7-8,10H2,1-6H3,(H,23,26)(H,21,24,27)/t12-,20+/m1/s1
InChIKeyPJNFRNDTRVSLPW-ODXCJYRJSA-N
MW390.48 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate

tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate (PubChem CID 166022561) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
PubChem CID166022561
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nametert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
SMILESCc1cc(NC(=O)C(=O)[C@]2(C)CC[C@@H](C)CN2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H30N4O4/c1-12-7-8-20(6,22-10-12)15(25)17(26)23-14-9-13(2)16(21-11-14)24-18(27)28-19(3,4)5/h9,11-12,22H,7-8,10H2,1-6H3,(H,23,26)(H,21,24,27)/t12-,20+/m1/s1
InChIKeyPJNFRNDTRVSLPW-ODXCJYRJSA-N
XLogP3.02
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-[(2-chloro-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]carbamate
CID 176549218
tert-butyl N-[5-[[2-[(5S)-2,5-dimethyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 175637933
tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164753133
tert-butyl N-[5-[[2-[(2R,5S)-2-(3,5-difluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164753119
tert-butyl N-[5-[[2-[(2R,5S)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752601
tert-butyl N-[3-methyl-5-[[2-[(2S,5R)-5-methyl-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate
CID 164753285
tert-butyl N-[5-[[2-[(2S)-5,5-dimethyl-2-(4-sulfamoylphenyl)piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 175637524
tert-butyl N-[5-[[2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752540
tert-butyl N-[5-[[2-[(2S,5R)-2-[(1S,3S)-3-hydroxycyclohexyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164751766
tert-butyl N-[5-[[2-(2-cyclohexylpiperidin-1-yl)-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752750
[4-[(2R,5S)-5-methyl-1-[2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetyl]piperidin-2-yl]phenyl] acetate
CID 164753507
tert-butyl N-[3-methyl-5-[[2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetyl]amino]-2-pyridinyl]carbamate
CID 167033491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate (CID 166022561) is tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate is Cc1cc(NC(=O)C(=O)[C@]2(C)CC[C@@H](C)CN2)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
The InChIKey is PJNFRNDTRVSLPW-ODXCJYRJSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-12-7-8-20(6,22-10-12)15(25)17(26)23-14-9-13(2)16(21-11-14)24-18(27)28-19(3,4)5/h9,11-12,22H,7-8,10H2,1-6H3,(H,23,26)(H,21,24,27)/t12-,20+/m1/s1.
What are the key properties of tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate has a molecular weight of 390.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[2-[(2S,5R)-2,5-dimethylpiperidin-2-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 166022561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).