2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide

C29H35N3O2 — CID 51031187

IUPAC2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)C(CCO)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35N3O2/c1-23-12-14-24(15-13-23)22-30-29(34)27(16-21-33)31-17-19-32(20-18-31)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-28,33H,16-22H2,1H3,(H,30,34)
InChIKeyNZUGJLVKXIOOKT-UHFFFAOYSA-N
MW457.62 g/mol
LogP3.77
Rot. Bonds9

About 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide

2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 51031187) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide
PubChem CID51031187
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)C(CCO)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35N3O2/c1-23-12-14-24(15-13-23)22-30-29(34)27(16-21-33)31-17-19-32(20-18-31)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-28,33H,16-22H2,1H3,(H,30,34)
InChIKeyNZUGJLVKXIOOKT-UHFFFAOYSA-N
XLogP3.77
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide
CID 51031485
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
N-[(4-methylphenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
CID 3505401
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzamide
CID 2977263
2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide
CID 15309004
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
5-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]-3-methyl-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 24781357
2-(benzhydrylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 46631037
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
N-benzyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butanamide
CID 42926159

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide (CID 51031187) is 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CNC(=O)C(CCO)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is NZUGJLVKXIOOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-23-12-14-24(15-13-23)22-30-29(34)27(16-21-33)31-17-19-32(20-18-31)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-28,33H,16-22H2,1H3,(H,30,34).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide?
2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 457.62 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 51031187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).