methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate

C19H26N2O5 — CID 14873779

IUPACmethyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CC(=O)OC)CC1
InChIInChI=1S/C19H26N2O5/c1-4-16(22)21(15-8-6-5-7-9-15)19(18(24)26-3)10-12-20(13-11-19)14-17(23)25-2/h5-9H,4,10-14H2,1-3H3
InChIKeyNHHVNGILDILSEI-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.61
Rot. Bonds6

About methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 14873779) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID14873779
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CC(=O)OC)CC1
InChIInChI=1S/C19H26N2O5/c1-4-16(22)21(15-8-6-5-7-9-15)19(18(24)26-3)10-12-20(13-11-19)14-17(23)25-2/h5-9H,4,10-14H2,1-3H3
InChIKeyNHHVNGILDILSEI-UHFFFAOYSA-N
XLogP1.61
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 14873779) is methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is NHHVNGILDILSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-16(22)21(15-8-6-5-7-9-15)19(18(24)26-3)10-12-20(13-11-19)14-17(23)25-2/h5-9H,4,10-14H2,1-3H3.
What are the key properties of methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 14873779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).