ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

C20H32N4O3 — CID 109160189

IUPACethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)C(=O)c1ccc(NC2CCN(C(=O)OCC)CC2)nc1
InChIInChI=1S/C20H32N4O3/c1-4-11-23(12-5-2)19(25)16-7-8-18(21-15-16)22-17-9-13-24(14-10-17)20(26)27-6-3/h7-8,15,17H,4-6,9-14H2,1-3H3,(H,21,22)
InChIKeyGCAXIFKJTUBCLX-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.38
Rot. Bonds8

About ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 109160189) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID109160189
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Nameethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)C(=O)c1ccc(NC2CCN(C(=O)OCC)CC2)nc1
InChIInChI=1S/C20H32N4O3/c1-4-11-23(12-5-2)19(25)16-7-8-18(21-15-16)22-17-9-13-24(14-10-17)20(26)27-6-3/h7-8,15,17H,4-6,9-14H2,1-3H3,(H,21,22)
InChIKeyGCAXIFKJTUBCLX-UHFFFAOYSA-N
XLogP3.38
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109155401
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862856
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[[2-(diethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897729
ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029239
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 109160189) is ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CCCN(CCC)C(=O)c1ccc(NC2CCN(C(=O)OCC)CC2)nc1.
What is the InChIKey of ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is GCAXIFKJTUBCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-11-23(12-5-2)19(25)16-7-8-18(21-15-16)22-17-9-13-24(14-10-17)20(26)27-6-3/h7-8,15,17H,4-6,9-14H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109160189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).