N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide

C29H32N4O2 — CID 26340701

IUPACN-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(N2CCC(NCCn3ccc4ccccc43)CC2)c1
InChIInChI=1S/C29H32N4O2/c1-35-28-12-5-3-10-26(28)29(34)31-24-8-6-9-25(21-24)32-18-14-23(15-19-32)30-16-20-33-17-13-22-7-2-4-11-27(22)33/h2-13,17,21,23,30H,14-16,18-20H2,1H3,(H,31,34)
InChIKeyYKVKYDRVQJPVEC-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.16
Rot. Bonds8

About N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide

N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide (PubChem CID 26340701) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide
PubChem CID26340701
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(N2CCC(NCCn3ccc4ccccc43)CC2)c1
InChIInChI=1S/C29H32N4O2/c1-35-28-12-5-3-10-26(28)29(34)31-24-8-6-9-25(21-24)32-18-14-23(15-19-32)30-16-20-33-17-13-22-7-2-4-11-27(22)33/h2-13,17,21,23,30H,14-16,18-20H2,1H3,(H,31,34)
InChIKeyYKVKYDRVQJPVEC-UHFFFAOYSA-N
XLogP5.16
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[3-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide
CID 42481674
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 1066513
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782341
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide (CID 26340701) is N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cccc(N2CCC(NCCn3ccc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide?
The InChIKey is YKVKYDRVQJPVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-35-28-12-5-3-10-26(28)29(34)31-24-8-6-9-25(21-24)32-18-14-23(15-19-32)30-16-20-33-17-13-22-7-2-4-11-27(22)33/h2-13,17,21,23,30H,14-16,18-20H2,1H3,(H,31,34).
What are the key properties of N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide?
N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide has a molecular weight of 468.60 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 26340701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).