ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate

C15H22N4O3 — CID 110706271

IUPACethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCc2cccnc2)CC1
InChIInChI=1S/C15H22N4O3/c1-2-22-15(21)19-8-5-13(6-9-19)18-14(20)17-11-12-4-3-7-16-10-12/h3-4,7,10,13H,2,5-6,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyKYMKDKJKLSNFAK-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.50
Rot. Bonds4

About ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate

ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 110706271) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID110706271
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nameethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCc2cccnc2)CC1
InChIInChI=1S/C15H22N4O3/c1-2-22-15(21)19-8-5-13(6-9-19)18-14(20)17-11-12-4-3-7-16-10-12/h3-4,7,10,13H,2,5-6,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyKYMKDKJKLSNFAK-UHFFFAOYSA-N
XLogP1.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023489
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
ethyl 4-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111023362
ethyl 4-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109121105
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
ethyl 4-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109307332
ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 38949283
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 110753942
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[[2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45207560

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate (CID 110706271) is ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NCc2cccnc2)CC1.
What is the InChIKey of ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is KYMKDKJKLSNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-2-22-15(21)19-8-5-13(6-9-19)18-14(20)17-11-12-4-3-7-16-10-12/h3-4,7,10,13H,2,5-6,8-9,11H2,1H3,(H2,17,18,20).
What are the key properties of ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110706271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).