tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate

C18H27ClN4O4 — CID 70036260

IUPACtert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1
InChIInChI=1S/C18H27ClN4O4/c1-18(2,3)27-14(24)10-23-6-4-11(5-7-23)9-21-16(25)12-8-13(19)15(20)22-17(12)26/h8,11H,4-7,9-10H2,1-3H3,(H,21,25)(H3,20,22,26)
InChIKeyRWBAPUCGKPENNJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP1.39
Rot. Bonds5

About tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate

tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate (PubChem CID 70036260) has the molecular formula C18H27ClN4O4 and a molecular weight of 398.89 g/mol. Its IUPAC name is tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
PubChem CID70036260
Molecular FormulaC18H27ClN4O4
Molecular Weight398.89 g/mol
Exact Mass398.17
IUPAC Nametert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1
InChIInChI=1S/C18H27ClN4O4/c1-18(2,3)27-14(24)10-23-6-4-11(5-7-23)9-21-16(25)12-8-13(19)15(20)22-17(12)26/h8,11H,4-7,9-10H2,1-3H3,(H,21,25)(H3,20,22,26)
InChIKeyRWBAPUCGKPENNJ-UHFFFAOYSA-N
XLogP1.39
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate with MolForge

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Related Compounds

2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 22262647
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262585
6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262625
6-amino-5-chloro-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-3,5-dimethylbenzene
CID 70035871
6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 70037533
6-amino-5-chloro-N-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262634
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-4-methylbenzene
CID 70038123
6-amino-5-chloro-2-oxo-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 22262678
6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 87976917
6-amino-5-chloro-N-[[1-[[3-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262639
6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene
CID 70036353
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-[(3R,4S)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate
CID 69137386

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate (CID 70036260) is tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1.
What is the InChIKey of tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?
The InChIKey is RWBAPUCGKPENNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O4/c1-18(2,3)27-14(24)10-23-6-4-11(5-7-23)9-21-16(25)12-8-13(19)15(20)22-17(12)26/h8,11H,4-7,9-10H2,1-3H3,(H,21,25)(H3,20,22,26).
What are the key properties of tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?
tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate has a molecular weight of 398.89 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 70036260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).