N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide

C28H27N3O2 — CID 42514413

IUPACN-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27N3O2/c32-27(23-10-8-22(9-11-23)21-6-2-1-3-7-21)30-18-20-5-4-16-31(19-20)28(33)25-12-13-26-24(17-25)14-15-29-26/h1-3,6-15,17,20,29H,4-5,16,18-19H2,(H,30,32)/t20-/m1/s1
InChIKeyAEFZIMPUKWTKED-HXUWFJFHSA-N
MW437.54 g/mol
LogP5.12
Rot. Bonds5

About N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide

N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide (PubChem CID 42514413) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
PubChem CID42514413
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27N3O2/c32-27(23-10-8-22(9-11-23)21-6-2-1-3-7-21)30-18-20-5-4-16-31(19-20)28(33)25-12-13-26-24(17-25)14-15-29-26/h1-3,6-15,17,20,29H,4-5,16,18-19H2,(H,30,32)/t20-/m1/s1
InChIKeyAEFZIMPUKWTKED-HXUWFJFHSA-N
XLogP5.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 131930403
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45224813
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45182249
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide (CID 42514413) is N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide is O=C(NC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
The InChIKey is AEFZIMPUKWTKED-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-27(23-10-8-22(9-11-23)21-6-2-1-3-7-21)30-18-20-5-4-16-31(19-20)28(33)25-12-13-26-24(17-25)14-15-29-26/h1-3,6-15,17,20,29H,4-5,16,18-19H2,(H,30,32)/t20-/m1/s1.
What are the key properties of N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide has a molecular weight of 437.54 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 42514413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).