ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate

C21H26N4O4 — CID 113029257

IUPACethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)COc3ccccc3)nc2)CC1
InChIInChI=1S/C21H26N4O4/c1-2-28-21(27)25-12-10-16(11-13-25)23-17-8-9-19(22-14-17)24-20(26)15-29-18-6-4-3-5-7-18/h3-9,14,16,23H,2,10-13,15H2,1H3,(H,22,24,26)
InChIKeyFJZPPCQWPNRGRC-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.13
Rot. Bonds7

About ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 113029257) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID113029257
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Nameethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)COc3ccccc3)nc2)CC1
InChIInChI=1S/C21H26N4O4/c1-2-28-21(27)25-12-10-16(11-13-25)23-17-8-9-19(22-14-17)24-20(26)15-29-18-6-4-3-5-7-18/h3-9,14,16,23H,2,10-13,15H2,1H3,(H,22,24,26)
InChIKeyFJZPPCQWPNRGRC-UHFFFAOYSA-N
XLogP3.13
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029239
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113010076
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014181
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028633
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194103
ethyl 4-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014202
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
N-[4-(cyclopropylamino)phenyl]-2-phenoxyacetamide
CID 112979976

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate (CID 113029257) is ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(NC(=O)COc3ccccc3)nc2)CC1.
What is the InChIKey of ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is FJZPPCQWPNRGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-2-28-21(27)25-12-10-16(11-13-25)23-17-8-9-19(22-14-17)24-20(26)15-29-18-6-4-3-5-7-18/h3-9,14,16,23H,2,10-13,15H2,1H3,(H,22,24,26).
What are the key properties of ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113029257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).