N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide

C30H31N3O2 — CID 141248188

IUPACN-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@H](NC(=O)c3cn(C)c4ccccc34)C2)c1C
InChIInChI=1S/C30H31N3O2/c1-20-15-16-24(22-10-5-4-6-11-22)28(21(20)2)30(35)33-17-9-12-23(18-33)31-29(34)26-19-32(3)27-14-8-7-13-25(26)27/h4-8,10-11,13-16,19,23H,9,12,17-18H2,1-3H3,(H,31,34)/t23-/m1/s1
InChIKeyFVSCAAOUSMIDDH-HSZRJFAPSA-N
MW465.60 g/mol
LogP5.50
Rot. Bonds4

About N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide

N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide (PubChem CID 141248188) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide
PubChem CID141248188
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@H](NC(=O)c3cn(C)c4ccccc34)C2)c1C
InChIInChI=1S/C30H31N3O2/c1-20-15-16-24(22-10-5-4-6-11-22)28(21(20)2)30(35)33-17-9-12-23(18-33)31-29(34)26-19-32(3)27-14-8-7-13-25(26)27/h4-8,10-11,13-16,19,23H,9,12,17-18H2,1-3H3,(H,31,34)/t23-/m1/s1
InChIKeyFVSCAAOUSMIDDH-HSZRJFAPSA-N
XLogP5.50
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 141248187
(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 67178862
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 95717428
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide (CID 141248188) is N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide is Cc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@H](NC(=O)c3cn(C)c4ccccc34)C2)c1C.
What is the InChIKey of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide?
The InChIKey is FVSCAAOUSMIDDH-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-20-15-16-24(22-10-5-4-6-11-22)28(21(20)2)30(35)33-17-9-12-23(18-33)31-29(34)26-19-32(3)27-14-8-7-13-25(26)27/h4-8,10-11,13-16,19,23H,9,12,17-18H2,1-3H3,(H,31,34)/t23-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide?
N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 141248188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).