ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate

C15H21N3O3 — CID 3148499

IUPACethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CNC(=O)c2cccnc2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)12-5-8-18(9-6-12)11-17-14(19)13-4-3-7-16-10-13/h3-4,7,10,12H,2,5-6,8-9,11H2,1H3,(H,17,19)
InChIKeyTUZSEXZNJSWQTI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.04
Rot. Bonds5

About ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate

ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate (PubChem CID 3148499) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate
PubChem CID3148499
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CNC(=O)c2cccnc2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)12-5-8-18(9-6-12)11-17-14(19)13-4-3-7-16-10-13/h3-4,7,10,12H,2,5-6,8-9,11H2,1H3,(H,17,19)
InChIKeyTUZSEXZNJSWQTI-UHFFFAOYSA-N
XLogP1.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-[N-ethyl-N'-[2-(pyridine-3-carbonylamino)ethyl]carbamimidoyl]piperidine-3-carboxylate
CID 110993273
ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate
CID 66927854
ethyl 1-[2-oxo-2-(pyridin-3-ylamino)acetyl]piperidine-4-carboxylate
CID 44902348
ethyl 1-[N-ethyl-N'-[2-(pyridine-3-carbonylamino)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993272
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
ethyl 1-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840557
ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
CID 23553352
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
(pyridine-3-carbonylamino)methyl butanoate
CID 138705851

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate (CID 3148499) is ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CNC(=O)c2cccnc2)CC1.
What is the InChIKey of ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate?
The InChIKey is TUZSEXZNJSWQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-15(20)12-5-8-18(9-6-12)11-17-14(19)13-4-3-7-16-10-13/h3-4,7,10,12H,2,5-6,8-9,11H2,1H3,(H,17,19).
What are the key properties of ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate?
ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 3148499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).