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

C29H36N4O2 — CID 45486018

IUPACN,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)23-11-13-25(14-12-23)33(27-9-7-10-28(34)22-27)26-16-20-31(21-17-26)19-15-24-8-5-6-18-30-24/h5-14,18,22,26,34H,3-4,15-17,19-21H2,1-2H3
InChIKeySBIAACBNBGWKOI-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.11
Rot. Bonds9

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

N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide (PubChem CID 45486018) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide
PubChem CID45486018
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)23-11-13-25(14-12-23)33(27-9-7-10-28(34)22-27)26-16-20-31(21-17-26)19-15-24-8-5-6-18-30-24/h5-14,18,22,26,34H,3-4,15-17,19-21H2,1-2H3
InChIKeySBIAACBNBGWKOI-UHFFFAOYSA-N
XLogP5.11
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.11
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-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide (CID 45486018) is N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide?
The InChIKey is SBIAACBNBGWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)23-11-13-25(14-12-23)33(27-9-7-10-28(34)22-27)26-16-20-31(21-17-26)19-15-24-8-5-6-18-30-24/h5-14,18,22,26,34H,3-4,15-17,19-21H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide has a molecular weight of 472.63 g/mol, XLogP of 5.11, 9 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-(2-pyridin-2-ylethyl)piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 45486018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).