tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate

C21H27N3O4 — CID 110613668

IUPACtert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H27N3O4/c1-13-11-15-5-6-16(12-17(15)23-18(13)25)22-19(26)14-7-9-24(10-8-14)20(27)28-21(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyWIUAZZJQWKSARK-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.42
Rot. Bonds2

About tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110613668) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID110613668
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Nametert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cc2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H27N3O4/c1-13-11-15-5-6-16(12-17(15)23-18(13)25)22-19(26)14-7-9-24(10-8-14)20(27)28-21(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyWIUAZZJQWKSARK-UHFFFAOYSA-N
XLogP3.42
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)piperidine-4-carboxamide
CID 110668263
tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate
CID 110608133
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
tert-butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 29357036
N-(3-methyl-2-oxo-1H-quinolin-7-yl)oxolane-2-carboxamide
CID 110604367
tert-butyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 36570789
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 17421893
tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
tert-butyl 4-[(2-methyl-3H-benzimidazol-5-yl)amino]piperidine-1-carboxylate
CID 113223911
tert-butyl 5-(cyclopropanecarbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 153322492
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110613673

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate (CID 110613668) is tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate is Cc1cc2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]c1=O.
What is the InChIKey of tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is WIUAZZJQWKSARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-13-11-15-5-6-16(12-17(15)23-18(13)25)22-19(26)14-7-9-24(10-8-14)20(27)28-21(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110613668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).