methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate

C23H34N2O5 — CID 14873751

IUPACmethyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC(C)CC)CC1
InChIInChI=1S/C23H34N2O5/c1-5-18(3)30-21(27)12-15-24-16-13-23(14-17-24,22(28)29-4)25(20(26)6-2)19-10-8-7-9-11-19/h7-11,18H,5-6,12-17H2,1-4H3
InChIKeySOMUCWOOTJEKHN-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.17
Rot. Bonds9

About methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 14873751) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID14873751
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Namemethyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC(C)CC)CC1
InChIInChI=1S/C23H34N2O5/c1-5-18(3)30-21(27)12-15-24-16-13-23(14-17-24,22(28)29-4)25(20(26)6-2)19-10-8-7-9-11-19/h7-11,18H,5-6,12-17H2,1-4H3
InChIKeySOMUCWOOTJEKHN-UHFFFAOYSA-N
XLogP3.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 14873751) is methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC(C)CC)CC1.
What is the InChIKey of methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is SOMUCWOOTJEKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-5-18(3)30-21(27)12-15-24-16-13-23(14-17-24,22(28)29-4)25(20(26)6-2)19-10-8-7-9-11-19/h7-11,18H,5-6,12-17H2,1-4H3.
What are the key properties of methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 418.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 14873751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).