tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate

C20H29N3O3 — CID 124907780

IUPACtert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N[C@@H]2CCc3ccccc3NC2=O)C1
InChIInChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)23-12-6-8-15(13-23)21-17-11-10-14-7-4-5-9-16(14)22-18(17)24/h4-5,7,9,15,17,21H,6,8,10-13H2,1-3H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyFZAVGVOMUKBNAW-NVXWUHKLSA-N
MW359.47 g/mol
LogP2.93
Rot. Bonds2

About tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate (PubChem CID 124907780) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate
PubChem CID124907780
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nametert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N[C@@H]2CCc3ccccc3NC2=O)C1
InChIInChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)23-12-6-8-15(13-23)21-17-11-10-14-7-4-5-9-16(14)22-18(17)24/h4-5,7,9,15,17,21H,6,8,10-13H2,1-3H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyFZAVGVOMUKBNAW-NVXWUHKLSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
3-[(4,4-dimethylcyclohexyl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313341
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CID 59732047
tert-butyl (3S)-3-[[(1R)-1-(1H-pyrrol-2-yl)ethyl]amino]piperidine-1-carboxylate
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tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-phenylpiperidine-1-carboxylate
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tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
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CID 107241492

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate (CID 124907780) is tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](N[C@@H]2CCc3ccccc3NC2=O)C1.
What is the InChIKey of tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is FZAVGVOMUKBNAW-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)23-12-6-8-15(13-23)21-17-11-10-14-7-4-5-9-16(14)22-18(17)24/h4-5,7,9,15,17,21H,6,8,10-13H2,1-3H3,(H,22,24)/t15-,17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 124907780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).