[1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate

C23H29N3O3 — CID 3050170

IUPAC[1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCNc2ccccc2C(N)=O)CC1
InChIInChI=1S/C23H29N3O3/c1-2-21(27)29-23(18-8-4-3-5-9-18)12-15-26(16-13-23)17-14-25-20-11-7-6-10-19(20)22(24)28/h3-11,25H,2,12-17H2,1H3,(H2,24,28)
InChIKeyQFPZJRUQCXEQCI-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.14
Rot. Bonds8

About [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate

[1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate (PubChem CID 3050170) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate.

Molecular Properties

Compound Name[1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate
PubChem CID3050170
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCNc2ccccc2C(N)=O)CC1
InChIInChI=1S/C23H29N3O3/c1-2-21(27)29-23(18-8-4-3-5-9-18)12-15-26(16-13-23)17-14-25-20-11-7-6-10-19(20)22(24)28/h3-11,25H,2,12-17H2,1H3,(H2,24,28)
InChIKeyQFPZJRUQCXEQCI-UHFFFAOYSA-N
XLogP3.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate?
The IUPAC name of [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate (CID 3050170) is [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate.
What is the SMILES notation for [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate?
The canonical SMILES for [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(CCNc2ccccc2C(N)=O)CC1.
What is the InChIKey of [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate?
The InChIKey is QFPZJRUQCXEQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-21(27)29-23(18-8-4-3-5-9-18)12-15-26(16-13-23)17-14-25-20-11-7-6-10-19(20)22(24)28/h3-11,25H,2,12-17H2,1H3,(H2,24,28).
What are the key properties of [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate?
[1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate has a molecular weight of 395.50 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate is sourced from PubChem (CID 3050170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).