tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate

C22H28N4O4 — CID 69437324

IUPACtert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1
InChIInChI=1S/C22H28N4O4/c1-22(2,3)30-21(29)25-13-11-17(23)18(14-25)24-20(28)15-7-9-16(10-8-15)26-12-5-4-6-19(26)27/h4-10,12,17-18H,11,13-14,23H2,1-3H3,(H,24,28)/t17-,18+/m0/s1
InChIKeyLWUJOXQBNMVVOW-ZWKOTPCHSA-N
MW412.49 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate

tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 69437324) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID69437324
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Nametert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1
InChIInChI=1S/C22H28N4O4/c1-22(2,3)30-21(29)25-13-11-17(23)18(14-25)24-20(28)15-7-9-16(10-8-15)26-12-5-4-6-19(26)27/h4-10,12,17-18H,11,13-14,23H2,1-3H3,(H,24,28)/t17-,18+/m0/s1
InChIKeyLWUJOXQBNMVVOW-ZWKOTPCHSA-N
XLogP1.90
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 58845419
tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
CID 142943619
N-(4-amino-1-methyl-5-oxopyrrolidin-3-yl)-4-(2-oxo-1-pyridinyl)benzamide
CID 69442634
3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 18452994
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-4-(2-oxo-1-pyridinyl)benzamide
CID 69173385
tert-butyl 3-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 68737369
tert-butyl 2,4-dioxo-3-[[4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1,4a,5,7,8,8a-hexahydro-1,6-naphthyridine-6-carboxylate
CID 90754256
tert-butyl (3R,4S)-4-hydroxy-3-(pyridine-4-carbonylamino)azepane-1-carboxylate
CID 12993582
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide
CID 173142948
N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 67307371

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate (CID 69437324) is tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N)[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1.
What is the InChIKey of tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is LWUJOXQBNMVVOW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(2,3)30-21(29)25-13-11-17(23)18(14-25)24-20(28)15-7-9-16(10-8-15)26-12-5-4-6-19(26)27/h4-10,12,17-18H,11,13-14,23H2,1-3H3,(H,24,28)/t17-,18+/m0/s1.
What are the key properties of tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 69437324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).