tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate

C18H28N4O2 — CID 166113221

IUPACtert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CN(C2CCN(c3ccc(N)cn3)CC2)C1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)24-17(23)13-11-22(12-13)15-6-8-21(9-7-15)16-5-4-14(19)10-20-16/h4-5,10,13,15H,6-9,11-12,19H2,1-3H3
InChIKeyCZDNIGWPBQXYLE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.91
Rot. Bonds3

About tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate

tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate (PubChem CID 166113221) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate
PubChem CID166113221
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Nametert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CN(C2CCN(c3ccc(N)cn3)CC2)C1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)24-17(23)13-11-22(12-13)15-6-8-21(9-7-15)16-5-4-14(19)10-20-16/h4-5,10,13,15H,6-9,11-12,19H2,1-3H3
InChIKeyCZDNIGWPBQXYLE-UHFFFAOYSA-N
XLogP1.91
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-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

tert-butyl 1-(4-aminophenyl)pyrrolidine-3-carboxylate
CID 142654201
(3S,4R)-1-(5-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445711
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate
CID 139550884
6-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67560935
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl (1S,4R)-5-(5-amino-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 155222967
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
CID 166471893
CID 166471893

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate?
The IUPAC name of tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate (CID 166113221) is tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate.
What is the SMILES notation for tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate?
The canonical SMILES for tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate is CC(C)(C)OC(=O)C1CN(C2CCN(c3ccc(N)cn3)CC2)C1.
What is the InChIKey of tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate?
The InChIKey is CZDNIGWPBQXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)24-17(23)13-11-22(12-13)15-6-8-21(9-7-15)16-5-4-14(19)10-20-16/h4-5,10,13,15H,6-9,11-12,19H2,1-3H3.
What are the key properties of tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate?
tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate is sourced from PubChem (CID 166113221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).