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

C29H36N4O2 — CID 45486012

IUPACN,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1
InChIInChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)24-8-10-25(11-9-24)33(27-6-5-7-28(34)22-27)26-15-20-31(21-16-26)19-14-23-12-17-30-18-13-23/h5-13,17-18,22,26,34H,3-4,14-16,19-21H2,1-2H3
InChIKeySRCHCGWKBLCANK-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.11
Rot. Bonds9

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

N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide (PubChem CID 45486012) 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-4-ylethyl)piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide
PubChem CID45486012
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1
InChIInChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)24-8-10-25(11-9-24)33(27-6-5-7-28(34)22-27)26-15-20-31(21-16-26)19-14-23-12-17-30-18-13-23/h5-13,17-18,22,26,34H,3-4,14-16,19-21H2,1-2H3
InChIKeySRCHCGWKBLCANK-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-4-ylethyl)piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide (CID 45486012) is N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide?
The InChIKey is SRCHCGWKBLCANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)24-8-10-25(11-9-24)33(27-6-5-7-28(34)22-27)26-15-20-31(21-16-26)19-14-23-12-17-30-18-13-23/h5-13,17-18,22,26,34H,3-4,14-16,19-21H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-[1-(2-pyridin-4-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-4-ylethyl)piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 45486012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).