(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

C23H26BrN3O — CID 41414954

IUPAC(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c(Br)c1
InChIInChI=1S/C23H26BrN3O/c1-15-7-8-22(20(24)13-15)26-23(28)16(2)27-11-9-17(10-12-27)19-14-25-21-6-4-3-5-18(19)21/h3-8,13-14,16-17,25H,9-12H2,1-2H3,(H,26,28)/t16-/m1/s1
InChIKeyXIKDIKZHMZWUCZ-MRXNPFEDSA-N
MW440.39 g/mol
LogP5.45
Rot. Bonds4

About (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (PubChem CID 41414954) has the molecular formula C23H26BrN3O and a molecular weight of 440.39 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
PubChem CID41414954
Molecular FormulaC23H26BrN3O
Molecular Weight440.39 g/mol
Exact Mass439.13
IUPAC Name(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c(Br)c1
InChIInChI=1S/C23H26BrN3O/c1-15-7-8-22(20(24)13-15)26-23(28)16(2)27-11-9-17(10-12-27)19-14-25-21-6-4-3-5-18(19)21/h3-8,13-14,16-17,25H,9-12H2,1-2H3,(H,26,28)/t16-/m1/s1
InChIKeyXIKDIKZHMZWUCZ-MRXNPFEDSA-N
XLogP5.45
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.39
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 41414932
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 25492854
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41379703
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382412
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 24596402

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (CID 41414954) is (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c(Br)c1.
What is the InChIKey of (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is XIKDIKZHMZWUCZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26BrN3O/c1-15-7-8-22(20(24)13-15)26-23(28)16(2)27-11-9-17(10-12-27)19-14-25-21-6-4-3-5-18(19)21/h3-8,13-14,16-17,25H,9-12H2,1-2H3,(H,26,28)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 440.39 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 41414954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).