3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide

C30H33N3O2 — CID 90316692

IUPAC3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C#N)c1
InChIInChI=1S/C30H33N3O2/c1-3-32(4-2)29(34)23-15-16-28(24(21-23)22-31)33-19-17-27(18-20-33)30(35,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,21,27,35H,3-4,17-20H2,1-2H3
InChIKeyMHFVBIPZTNIBMJ-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.19
Rot. Bonds7

About 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide

3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide (PubChem CID 90316692) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide
PubChem CID90316692
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C#N)c1
InChIInChI=1S/C30H33N3O2/c1-3-32(4-2)29(34)23-15-16-28(24(21-23)22-31)33-19-17-27(18-20-33)30(35,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,21,27,35H,3-4,17-20H2,1-2H3
InChIKeyMHFVBIPZTNIBMJ-UHFFFAOYSA-N
XLogP5.19
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide?
The IUPAC name of 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide (CID 90316692) is 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide.
What is the SMILES notation for 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide?
The canonical SMILES for 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide is CCN(CC)C(=O)c1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C#N)c1.
What is the InChIKey of 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide?
The InChIKey is MHFVBIPZTNIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-3-32(4-2)29(34)23-15-16-28(24(21-23)22-31)33-19-17-27(18-20-33)30(35,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,21,27,35H,3-4,17-20H2,1-2H3.
What are the key properties of 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide?
3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide has a molecular weight of 467.61 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-diethyl-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 90316692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).