N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide

C28H33N3O3 — CID 45225227

IUPACN-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc(CC(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)N(C)C(=O)C2CC2)c1
InChIInChI=1S/C28H33N3O3/c1-30(27(32)21-6-7-21)26(17-19-4-3-5-24(16-19)34-2)20-11-14-31(15-12-20)28(33)23-8-9-25-22(18-23)10-13-29-25/h3-5,8-10,13,16,18,20-21,26,29H,6-7,11-12,14-15,17H2,1-2H3
InChIKeyAPIIHXUYXATDFH-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.51
Rot. Bonds7

About N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide

N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 45225227) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
PubChem CID45225227
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc(CC(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)N(C)C(=O)C2CC2)c1
InChIInChI=1S/C28H33N3O3/c1-30(27(32)21-6-7-21)26(17-19-4-3-5-24(16-19)34-2)20-11-14-31(15-12-20)28(33)23-8-9-25-22(18-23)10-13-29-25/h3-5,8-10,13,16,18,20-21,26,29H,6-7,11-12,14-15,17H2,1-2H3
InChIKeyAPIIHXUYXATDFH-UHFFFAOYSA-N
XLogP4.51
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 45225107
N-[(1R)-1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 42500665
N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide
CID 42325225
N-[1-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 45250740
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26348800
N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45171491
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 26348293
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 25365472
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]ethyl]-N-methylpyridine-3-carboxamide
CID 26343898
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 26281727

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide (CID 45225227) is N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide is COc1cccc(CC(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)N(C)C(=O)C2CC2)c1.
What is the InChIKey of N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is APIIHXUYXATDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-30(27(32)21-6-7-21)26(17-19-4-3-5-24(16-19)34-2)20-11-14-31(15-12-20)28(33)23-8-9-25-22(18-23)10-13-29-25/h3-5,8-10,13,16,18,20-21,26,29H,6-7,11-12,14-15,17H2,1-2H3.
What are the key properties of N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide?
N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 45225227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).