N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

C34H37N3O3 — CID 142128591

IUPACN-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3ccc(OCCO)cc3)cc2)C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C34H37N3O3/c1-26-2-6-31(7-3-26)34(39)37(32-16-20-36(21-17-32)24-28-14-18-35-19-15-28)25-27-4-8-29(9-5-27)30-10-12-33(13-11-30)40-23-22-38/h2-15,18-19,32,38H,16-17,20-25H2,1H3
InChIKeyJPTLQEPQEGPDEA-UHFFFAOYSA-N
MW535.69 g/mol
LogP5.74
Rot. Bonds10

About N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 142128591) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
PubChem CID142128591
Molecular FormulaC34H37N3O3
Molecular Weight535.69 g/mol
Exact Mass535.28
IUPAC NameN-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3ccc(OCCO)cc3)cc2)C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C34H37N3O3/c1-26-2-6-31(7-3-26)34(39)37(32-16-20-36(21-17-32)24-28-14-18-35-19-15-28)25-27-4-8-29(9-5-27)30-10-12-33(13-11-30)40-23-22-38/h2-15,18-19,32,38H,16-17,20-25H2,1H3
InChIKeyJPTLQEPQEGPDEA-UHFFFAOYSA-N
XLogP5.74
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide with MolForge

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Related Compounds

N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 25041633
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
CID 26348614
N-(1-benzylazepan-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
CID 10187349
1-[(4-butoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112798075
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (CID 142128591) is N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(OCCO)cc3)cc2)C2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is JPTLQEPQEGPDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3/c1-26-2-6-31(7-3-26)34(39)37(32-16-20-36(21-17-32)24-28-14-18-35-19-15-28)25-27-4-8-29(9-5-27)30-10-12-33(13-11-30)40-23-22-38/h2-15,18-19,32,38H,16-17,20-25H2,1H3.
What are the key properties of N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 535.69 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 142128591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).