(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide

C24H29N3O2 — CID 41414932

IUPAC(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H29N3O2/c1-16-8-9-23(29-3)22(14-16)26-24(28)17(2)27-12-10-18(11-13-27)20-15-25-21-7-5-4-6-19(20)21/h4-9,14-15,17-18,25H,10-13H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyXJTHKZYPJANFFD-QGZVFWFLSA-N
MW391.52 g/mol
LogP4.69
Rot. Bonds5

About (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide

(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 41414932) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID41414932
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H29N3O2/c1-16-8-9-23(29-3)22(14-16)26-24(28)17(2)27-12-10-18(11-13-27)20-15-25-21-7-5-4-6-19(20)21/h4-9,14-15,17-18,25H,10-13H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyXJTHKZYPJANFFD-QGZVFWFLSA-N
XLogP4.69
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide
CID 60517352
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 25492854
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41379703
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 110019793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide (CID 41414932) is (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is XJTHKZYPJANFFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-8-9-23(29-3)22(14-16)26-24(28)17(2)27-12-10-18(11-13-27)20-15-25-21-7-5-4-6-19(20)21/h4-9,14-15,17-18,25H,10-13H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 41414932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).