N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide

C28H34N4O2 — CID 22504668

IUPACN,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C28H34N4O2/c1-3-31(4-2)28(34)22-11-13-24(14-12-22)32(26-9-7-10-27(33)20-26)25-15-18-30(19-16-25)21-23-8-5-6-17-29-23/h5-14,17,20,25,33H,3-4,15-16,18-19,21H2,1-2H3
InChIKeyQVXMGSQKZOWFNI-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.07
Rot. Bonds8

About N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide

N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide (PubChem CID 22504668) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide
PubChem CID22504668
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C28H34N4O2/c1-3-31(4-2)28(34)22-11-13-24(14-12-22)32(26-9-7-10-27(33)20-26)25-15-18-30(19-16-25)21-23-8-5-6-17-29-23/h5-14,17,20,25,33H,3-4,15-16,18-19,21H2,1-2H3
InChIKeyQVXMGSQKZOWFNI-UHFFFAOYSA-N
XLogP5.07
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide (CID 22504668) is N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide?
The InChIKey is QVXMGSQKZOWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-3-31(4-2)28(34)22-11-13-24(14-12-22)32(26-9-7-10-27(33)20-26)25-15-18-30(19-16-25)21-23-8-5-6-17-29-23/h5-14,17,20,25,33H,3-4,15-16,18-19,21H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide has a molecular weight of 458.61 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-hydroxy-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 22504668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).