3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide

C23H34N2O2 — CID 23723914

IUPAC3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C23H34N2O2/c1-6-13-25(14-7-2)22(26)19-9-8-10-21(17-19)27-20-11-15-24(16-12-20)18-23(3,4)5/h6-10,17,20H,1-2,11-16,18H2,3-5H3
InChIKeyBBCZLGHJTHBMKI-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.39
Rot. Bonds8

About 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide

3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide (PubChem CID 23723914) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide
PubChem CID23723914
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C23H34N2O2/c1-6-13-25(14-7-2)22(26)19-9-8-10-21(17-19)27-20-11-15-24(16-12-20)18-23(3,4)5/h6-10,17,20H,1-2,11-16,18H2,3-5H3
InChIKeyBBCZLGHJTHBMKI-UHFFFAOYSA-N
XLogP4.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide (CID 23723914) is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is BBCZLGHJTHBMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-6-13-25(14-7-2)22(26)19-9-8-10-21(17-19)27-20-11-15-24(16-12-20)18-23(3,4)5/h6-10,17,20H,1-2,11-16,18H2,3-5H3.
What are the key properties of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide?
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 370.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 23723914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).