N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C28H33N3O — CID 20908801

IUPACN-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc1)CCCC2
InChIInChI=1S/C28H33N3O/c1-21-19-24-9-5-6-10-27(24)31(21)26-13-11-23(12-14-26)28(32)29-25-15-17-30(18-16-25)20-22-7-3-2-4-8-22/h2-4,7-8,11-14,19,25H,5-6,9-10,15-18,20H2,1H3,(H,29,32)
InChIKeyXAHAWDGPDAXORD-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.06
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 20908801) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID20908801
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc1)CCCC2
InChIInChI=1S/C28H33N3O/c1-21-19-24-9-5-6-10-27(24)31(21)26-13-11-23(12-14-26)28(32)29-25-15-17-30(18-16-25)20-22-7-3-2-4-8-22/h2-4,7-8,11-14,19,25H,5-6,9-10,15-18,20H2,1H3,(H,29,32)
InChIKeyXAHAWDGPDAXORD-UHFFFAOYSA-N
XLogP5.06
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate
CID 54229944
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 20908801) is N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc1)CCCC2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is XAHAWDGPDAXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-21-19-24-9-5-6-10-27(24)31(21)26-13-11-23(12-14-26)28(32)29-25-15-17-30(18-16-25)20-22-7-3-2-4-8-22/h2-4,7-8,11-14,19,25H,5-6,9-10,15-18,20H2,1H3,(H,29,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 427.59 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 20908801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).