tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate

C27H37N3O3 — CID 130295435

IUPACtert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccc(OC3CCCC3)cc2)c1N
InChIInChI=1S/C27H37N3O3/c1-18-17-23(19-13-15-30(16-14-19)26(31)33-27(2,3)4)29-25(24(18)28)20-9-11-22(12-10-20)32-21-7-5-6-8-21/h9-12,17,19,21H,5-8,13-16,28H2,1-4H3
InChIKeyBIIGJRGTOFNASO-UHFFFAOYSA-N
MW451.61 g/mol
LogP6.08
Rot. Bonds4

About tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 130295435) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate
PubChem CID130295435
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Nametert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccc(OC3CCCC3)cc2)c1N
InChIInChI=1S/C27H37N3O3/c1-18-17-23(19-13-15-30(16-14-19)26(31)33-27(2,3)4)29-25(24(18)28)20-9-11-22(12-10-20)32-21-7-5-6-8-21/h9-12,17,19,21H,5-8,13-16,28H2,1-4H3
InChIKeyBIIGJRGTOFNASO-UHFFFAOYSA-N
XLogP6.08
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[2-(4-cyclopentyloxyphenyl)-4-methyl-6-(1-prop-2-enoylpiperidin-4-yl)-3-pyridinyl]acetamide
CID 146676679
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 3-[5-amino-4-carbamoyl-3-(4-cyclohexyloxyphenyl)pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 163208525
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate
CID 23019436
tert-butyl 4-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58851926
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-[4-[6-amino-2-fluoro-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]phenoxy]piperidine-1-carboxylate
CID 166093860

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate (CID 130295435) is tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate is Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccc(OC3CCCC3)cc2)c1N.
What is the InChIKey of tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is BIIGJRGTOFNASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-18-17-23(19-13-15-30(16-14-19)26(31)33-27(2,3)4)29-25(24(18)28)20-9-11-22(12-10-20)32-21-7-5-6-8-21/h9-12,17,19,21H,5-8,13-16,28H2,1-4H3.
What are the key properties of tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 451.61 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-amino-6-(4-cyclopentyloxyphenyl)-4-methyl-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 130295435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).