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

C17H26N4O3 — CID 109165045

IUPACethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)c1ccnc(NC2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C17H26N4O3/c1-3-8-19-16(22)13-5-9-18-15(12-13)20-14-6-10-21(11-7-14)17(23)24-4-2/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyAJBWQASNJWNMQS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.25
Rot. Bonds6

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

ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 109165045) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID109165045
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)c1ccnc(NC2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C17H26N4O3/c1-3-8-19-16(22)13-5-9-18-15(12-13)20-14-6-10-21(11-7-14)17(23)24-4-2/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyAJBWQASNJWNMQS-UHFFFAOYSA-N
XLogP2.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231
ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109165564
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830
(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109168341
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109174202
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 59074849
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[2-(diethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897729

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 109165045) is ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CCCNC(=O)c1ccnc(NC2CCN(C(=O)OCC)CC2)c1.
What is the InChIKey of ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is AJBWQASNJWNMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-8-19-16(22)13-5-9-18-15(12-13)20-14-6-10-21(11-7-14)17(23)24-4-2/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109165045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).