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

C22H28N4O3 — CID 109160203

IUPACethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)Nc3ccccc3CC)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-16-7-5-6-8-19(16)25-21(27)17-9-10-20(23-15-17)24-18-11-13-26(14-12-18)22(28)29-4-2/h5-10,15,18H,3-4,11-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDUQFKJZKABDVCX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.93
Rot. Bonds6

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

ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 109160203) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID109160203
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Nameethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)Nc3ccccc3CC)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-16-7-5-6-8-19(16)25-21(27)17-9-10-20(23-15-17)24-18-11-13-26(14-12-18)22(28)29-4-2/h5-10,15,18H,3-4,11-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDUQFKJZKABDVCX-UHFFFAOYSA-N
XLogP3.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286243
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286246
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109155401
ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160189
N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014181
ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029257
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 60563554
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate (CID 109160203) is ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(C(=O)Nc3ccccc3CC)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is DUQFKJZKABDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-16-7-5-6-8-19(16)25-21(27)17-9-10-20(23-15-17)24-18-11-13-26(14-12-18)22(28)29-4-2/h5-10,15,18H,3-4,11-14H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109160203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).