ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate

C14H21N3O2 — CID 63329550

IUPACethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cnccc2C)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-15-7-4-11(13)2/h4,7,10,12,16H,3,5-6,8-9H2,1-2H3
InChIKeyQKILFJLTQJUNBK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds3

About ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 63329550) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID63329550
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cnccc2C)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-15-7-4-11(13)2/h4,7,10,12,16H,3,5-6,8-9H2,1-2H3
InChIKeyQKILFJLTQJUNBK-UHFFFAOYSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(4-methyl-3-pyridinyl)amino]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

tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
ethyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 23374509
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-(4-bromo-2,3-dichloroanilino)piperidine-1-carboxylate
CID 107787982
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
ethyl 4-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]piperidine-1-carboxylate
CID 115623973
ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
CID 25043133

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate (CID 63329550) is ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cnccc2C)CC1.
What is the InChIKey of ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is QKILFJLTQJUNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-15-7-4-11(13)2/h4,7,10,12,16H,3,5-6,8-9H2,1-2H3.
What are the key properties of ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 63329550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).