N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

C22H26N4O4S — CID 95854289

IUPACN-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)N3CCC([C@H](NC(C)=O)c4nccs4)CC3)cc12
InChIInChI=1S/C22H26N4O4S/c1-13(27)24-19(21-23-8-11-31-21)14-6-9-26(10-7-14)22(28)16-12-15-17(29-2)4-5-18(30-3)20(15)25-16/h4-5,8,11-12,14,19,25H,6-7,9-10H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyQFXXUSNQVBECFM-IBGZPJMESA-N
MW442.54 g/mol
LogP3.37
Rot. Bonds6

About N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 95854289) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID95854289
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)N3CCC([C@H](NC(C)=O)c4nccs4)CC3)cc12
InChIInChI=1S/C22H26N4O4S/c1-13(27)24-19(21-23-8-11-31-21)14-6-9-26(10-7-14)22(28)16-12-15-17(29-2)4-5-18(30-3)20(15)25-16/h4-5,8,11-12,14,19,25H,6-7,9-10H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyQFXXUSNQVBECFM-IBGZPJMESA-N
XLogP3.37
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854293
N-[(S)-[1-[1-(2-methoxyethyl)indole-3-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854291
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 124989644
(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340317
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215615
(4,7-dimethoxy-1H-indol-2-yl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 46965642
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583
N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234604
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 95854289) is N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is COc1ccc(OC)c2[nH]c(C(=O)N3CCC([C@H](NC(C)=O)c4nccs4)CC3)cc12.
What is the InChIKey of N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is QFXXUSNQVBECFM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-13(27)24-19(21-23-8-11-31-21)14-6-9-26(10-7-14)22(28)16-12-15-17(29-2)4-5-18(30-3)20(15)25-16/h4-5,8,11-12,14,19,25H,6-7,9-10H2,1-3H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 442.54 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 95854289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).