N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide

C27H29N3O2 — CID 69100099

IUPACN-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(NCc2ccccc2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c31-26(27(32)30-17-15-22(16-18-30)19-21-7-3-1-4-8-21)29-25-13-11-24(12-14-25)28-20-23-9-5-2-6-10-23/h1-14,22,28H,15-20H2,(H,29,31)
InChIKeyGCATTYCEARWDIU-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.72
Rot. Bonds6

About N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide

N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 69100099) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
PubChem CID69100099
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(NCc2ccccc2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c31-26(27(32)30-17-15-22(16-18-30)19-21-7-3-1-4-8-21)29-25-13-11-24(12-14-25)28-20-23-9-5-2-6-10-23/h1-14,22,28H,15-20H2,(H,29,31)
InChIKeyGCATTYCEARWDIU-UHFFFAOYSA-N
XLogP4.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
tert-butyl N-[4-[[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]amino]phenyl]carbamate
CID 69100254
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
2-(4-benzylpiperidin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108506967
2-(4-benzylpiperidin-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 44902552
2-(4-benzylpiperidin-1-yl)-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 108500909
2-(4-benzylpiperidin-1-yl)-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 69100489
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
tert-butyl N-[2-[3-[[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]amino]anilino]-2-oxoethyl]carbamate
CID 69099965
N-[[3-(aminomethyl)phenyl]methyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108506987

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide (CID 69100099) is N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide is O=C(Nc1ccc(NCc2ccccc2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is GCATTYCEARWDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-26(27(32)30-17-15-22(16-18-30)19-21-7-3-1-4-8-21)29-25-13-11-24(12-14-25)28-20-23-9-5-2-6-10-23/h1-14,22,28H,15-20H2,(H,29,31).
What are the key properties of N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide?
N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 427.55 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 69100099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).