methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate

C23H29N3O3 — CID 14879894

IUPACmethyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-21(27)26(20-10-5-4-6-11-20)23(22(28)29-2)13-17-25(18-14-23)16-12-19-9-7-8-15-24-19/h4-11,15H,3,12-14,16-18H2,1-2H3
InChIKeyNAFXKXKBHMBSRZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.07
Rot. Bonds7

About methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate

methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate (PubChem CID 14879894) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
PubChem CID14879894
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Namemethyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-21(27)26(20-10-5-4-6-11-20)23(22(28)29-2)13-17-25(18-14-23)16-12-19-9-7-8-15-24-19/h4-11,15H,3,12-14,16-18H2,1-2H3
InChIKeyNAFXKXKBHMBSRZ-UHFFFAOYSA-N
XLogP3.07
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate (CID 14879894) is methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccn2)CC1.
What is the InChIKey of methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
The InChIKey is NAFXKXKBHMBSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-21(27)26(20-10-5-4-6-11-20)23(22(28)29-2)13-17-25(18-14-23)16-12-19-9-7-8-15-24-19/h4-11,15H,3,12-14,16-18H2,1-2H3.
What are the key properties of methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate?
methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 14879894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).