N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C34H34N4O2S — CID 3734688

IUPACN-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C34H34N4O2S/c39-32(21-27-22-36-30-14-8-7-13-29(27)30)38-19-16-26(17-20-38)34-37-31(23-41-34)33(40)35-18-15-28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,22-23,26,28,36H,15-21H2,(H,35,40)
InChIKeyNYMGSDDUACGZQJ-UHFFFAOYSA-N
MW562.74 g/mol
LogP6.53
Rot. Bonds9

About N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3734688) has the molecular formula C34H34N4O2S and a molecular weight of 562.74 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID3734688
Molecular FormulaC34H34N4O2S
Molecular Weight562.74 g/mol
Exact Mass562.24
IUPAC NameN-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C34H34N4O2S/c39-32(21-27-22-36-30-14-8-7-13-29(27)30)38-19-16-26(17-20-38)34-37-31(23-41-34)33(40)35-18-15-28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,22-23,26,28,36H,15-21H2,(H,35,40)
InChIKeyNYMGSDDUACGZQJ-UHFFFAOYSA-N
XLogP6.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.74
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3827500
2-(1H-indol-3-yl)-1-[4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3338138
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 11570732
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3729178
N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23990974
N-(3,3-diphenylpropyl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3755464
1-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 3573444
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 3869986
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134023907
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 4657597
methyl 4-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate
CID 4986353

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3734688) is N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is NYMGSDDUACGZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2S/c39-32(21-27-22-36-30-14-8-7-13-29(27)30)38-19-16-26(17-20-38)34-37-31(23-41-34)33(40)35-18-15-28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,22-23,26,28,36H,15-21H2,(H,35,40).
What are the key properties of N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 562.74 g/mol, XLogP of 6.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3734688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).