tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate

C16H25N3O2 — CID 167190668

IUPACtert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
SMILESCNc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-12(8-10-19)14-6-5-13(17-4)11-18-14/h5-6,11-12,17H,7-10H2,1-4H3
InChIKeyQADKLDKOMZRJDG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.24
Rot. Bonds2

About tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 167190668) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
PubChem CID167190668
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
SMILESCNc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-12(8-10-19)14-6-5-13(17-4)11-18-14/h5-6,11-12,17H,7-10H2,1-4H3
InChIKeyQADKLDKOMZRJDG-UHFFFAOYSA-N
XLogP3.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
2-[2-[2-[5-methyl-2-[[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetic acid
CID 86712644
6-cyclopropyl-N-methylpyridin-3-amine;hydrochloride
CID 170918723

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate (CID 167190668) is tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate is CNc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is QADKLDKOMZRJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-12(8-10-19)14-6-5-13(17-4)11-18-14/h5-6,11-12,17H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 167190668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).