ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate

C14H21N3O3 — CID 11161781

IUPACethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(OC)ccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-3-20-14(18)17-8-5-11(6-9-17)16-13-10-12(19-2)4-7-15-13/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyGCTVYNAQYNTXBH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds4

About ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 11161781) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID11161781
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(OC)ccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-3-20-14(18)17-8-5-11(6-9-17)16-13-10-12(19-2)4-7-15-13/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyGCTVYNAQYNTXBH-UHFFFAOYSA-N
XLogP2.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-Methoxypyridine
CID 10898715
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
CID 24894151
4-methoxy-N-methylpyridin-2-amine
CID 55276258
[1-(4-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487846
4-(4-Ethoxy-pyridin-2-ylamino)-piperidine-1-carboxylic acid ethyl ester
CID 11369870
Ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate
CID 11357119
1-[2-[Di(propan-2-yl)amino]ethyl]-1-(4-methoxy-2-pyridinyl)-3,3-dimethylurea
CID 12857652
(4-Methoxy-pyridin-2-yl)-carbamic acid tert-butyl ester
CID 1519344
1-(4-Methoxypyridin-2-yl)piperazine
CID 22648132
tert-butyl N-(2-((2-aminopyridin-4-yl)oxy)ethyl)carbamate
CID 138040185
N-(4-methoxy-2-pyridinyl)-4-methylpentanamide
CID 75482698

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate (CID 11161781) is ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(OC)ccn2)CC1.
What is the InChIKey of ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is GCTVYNAQYNTXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-20-14(18)17-8-5-11(6-9-17)16-13-10-12(19-2)4-7-15-13/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 11161781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).