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

C31H39N3O2 — CID 45486062

IUPACN,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3
InChIKeyUJJLKLKIVAJGRK-UHFFFAOYSA-N
MW485.67 g/mol
LogP6.28
Rot. Bonds9

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

N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide (PubChem CID 45486062) has the molecular formula C31H39N3O2 and a molecular weight of 485.67 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
PubChem CID45486062
Molecular FormulaC31H39N3O2
Molecular Weight485.67 g/mol
Exact Mass485.30
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3
InChIKeyUJJLKLKIVAJGRK-UHFFFAOYSA-N
XLogP6.28
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide (CID 45486062) is N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC(C)c3ccccc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide?
The InChIKey is UJJLKLKIVAJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide has a molecular weight of 485.67 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 45486062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).