N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide

C28H29N3O2S — CID 20940796

IUPACN-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide
SMILESCc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)s1
InChIInChI=1S/C28H29N3O2S/c1-20-18-23-10-6-7-11-24(23)31(20)26-13-12-25(34-26)28(33)30-16-14-22(15-17-30)27(32)29(2)19-21-8-4-3-5-9-21/h3-13,18,22H,14-17,19H2,1-2H3
InChIKeyARPPUBCUFPVUOF-UHFFFAOYSA-N
MW471.63 g/mol
LogP5.51
Rot. Bonds5

About N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide

N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide (PubChem CID 20940796) has the molecular formula C28H29N3O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide
PubChem CID20940796
Molecular FormulaC28H29N3O2S
Molecular Weight471.63 g/mol
Exact Mass471.20
IUPAC NameN-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide
SMILESCc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)s1
InChIInChI=1S/C28H29N3O2S/c1-20-18-23-10-6-7-11-24(23)31(20)26-13-12-25(34-26)28(33)30-16-14-22(15-17-30)27(32)29(2)19-21-8-4-3-5-9-21/h3-13,18,22H,14-17,19H2,1-2H3
InChIKeyARPPUBCUFPVUOF-UHFFFAOYSA-N
XLogP5.51
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide (CID 20940796) is N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide is Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)s1.
What is the InChIKey of N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is ARPPUBCUFPVUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2S/c1-20-18-23-10-6-7-11-24(23)31(20)26-13-12-25(34-26)28(33)30-16-14-22(15-17-30)27(32)29(2)19-21-8-4-3-5-9-21/h3-13,18,22H,14-17,19H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide?
N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 471.63 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 20940796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).