N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide

C28H29N3O2S — CID 42325225

IUPACN-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C28H29N3O2S/c1-30(28(33)26-8-5-17-34-26)25(18-20-6-3-2-4-7-20)21-12-15-31(16-13-21)27(32)23-9-10-24-22(19-23)11-14-29-24/h2-11,14,17,19,21,25,29H,12-13,15-16,18H2,1H3/t25-/m0/s1
InChIKeyYXNROUWKHBNYFG-VWLOTQADSA-N
MW471.63 g/mol
LogP5.47
Rot. Bonds6

About N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide

N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide (PubChem CID 42325225) has the molecular formula C28H29N3O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide
PubChem CID42325225
Molecular FormulaC28H29N3O2S
Molecular Weight471.63 g/mol
Exact Mass471.20
IUPAC NameN-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C28H29N3O2S/c1-30(28(33)26-8-5-17-34-26)25(18-20-6-3-2-4-7-20)21-12-15-31(16-13-21)27(32)23-9-10-24-22(19-23)11-14-29-24/h2-11,14,17,19,21,25,29H,12-13,15-16,18H2,1H3/t25-/m0/s1
InChIKeyYXNROUWKHBNYFG-VWLOTQADSA-N
XLogP5.47
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide (CID 42325225) is N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is YXNROUWKHBNYFG-VWLOTQADSA-N. The full InChI is InChI=1S/C28H29N3O2S/c1-30(28(33)26-8-5-17-34-26)25(18-20-6-3-2-4-7-20)21-12-15-31(16-13-21)27(32)23-9-10-24-22(19-23)11-14-29-24/h2-11,14,17,19,21,25,29H,12-13,15-16,18H2,1H3/t25-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide?
N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 471.63 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 42325225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).