tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate

C19H25N3O2 — CID 67196651

IUPACtert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-10-8-15(9-11-22)21-16-12-14-6-4-5-7-17(14)20-13-16/h4-7,12-13,15,21H,8-11H2,1-3H3
InChIKeyOEWUMOGRTAMLJI-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate

tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate (PubChem CID 67196651) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
PubChem CID67196651
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nametert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-10-8-15(9-11-22)21-16-12-14-6-4-5-7-17(14)20-13-16/h4-7,12-13,15,21H,8-11H2,1-3H3
InChIKeyOEWUMOGRTAMLJI-UHFFFAOYSA-N
XLogP4.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434
N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 43691175
tert-butyl 4-[[7-(trifluoromethylsulfonyloxy)-1,8-naphthyridin-3-yl]amino]piperidine-1-carboxylate
CID 168978860
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[(2-methyl-3H-benzimidazol-5-yl)amino]piperidine-1-carboxylate
CID 113223911
tert-butyl 4-quinoxalin-2-ylsulfanylpiperidine-1-carboxylate
CID 71303203

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate (CID 67196651) is tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cnc3ccccc3c2)CC1.
What is the InChIKey of tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate?
The InChIKey is OEWUMOGRTAMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-10-8-15(9-11-22)21-16-12-14-6-4-5-7-17(14)20-13-16/h4-7,12-13,15,21H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 67196651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).