tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate

C20H31N3O3 — CID 102543130

IUPACtert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate
SMILESCc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-15-13-16(14-22-18(15)23-11-6-5-7-12-23)17(24)9-8-10-21-19(25)26-20(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,25)
InChIKeyMWBHPYGQMAIECZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate

tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate (PubChem CID 102543130) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate
PubChem CID102543130
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate
SMILESCc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-15-13-16(14-22-18(15)23-11-6-5-7-12-23)17(24)9-8-10-21-19(25)26-20(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,25)
InChIKeyMWBHPYGQMAIECZ-UHFFFAOYSA-N
XLogP3.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-[6-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541843
tert-butyl N-[4-oxo-4-(2-piperidin-1-yl-3-pyridinyl)butyl]carbamate
CID 102541529
tert-butyl N-[5-[5-methyl-6-(methylamino)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102543063
tert-butyl N-[5-[2-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541875
tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539098
tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
CID 102539652
tert-butyl N-[[6-(4-acetylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]carbamate
CID 102544956
tert-butyl N-cyclopropyl-N-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102541114
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-[5-[6-(cyclopentylamino)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102540471
tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
CID 60620853
tert-butyl N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 51217256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate (CID 102543130) is tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate is Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1N1CCCCC1.
What is the InChIKey of tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate?
The InChIKey is MWBHPYGQMAIECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15-13-16(14-22-18(15)23-11-6-5-7-12-23)17(24)9-8-10-21-19(25)26-20(2,3)4/h13-14H,5-12H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate?
tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-4-oxobutyl]carbamate is sourced from PubChem (CID 102543130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).