N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide

C27H33N3O4S — CID 26278267

IUPACN-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCOc1cccc(C[C@H](C2CCN(C(=O)Cc3c(C)noc3C)CC2)N(C)C(=O)c2ccsc2)c1
InChIInChI=1S/C27H33N3O4S/c1-18-24(19(2)34-28-18)16-26(31)30-11-8-21(9-12-30)25(15-20-6-5-7-23(14-20)33-4)29(3)27(32)22-10-13-35-17-22/h5-7,10,13-14,17,21,25H,8-9,11-12,15-16H2,1-4H3/t25-/m1/s1
InChIKeyGCRLZHWMARQYGE-RUZDIDTESA-N
MW495.65 g/mol
LogP4.53
Rot. Bonds8

About N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide

N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide (PubChem CID 26278267) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide
PubChem CID26278267
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC NameN-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCOc1cccc(C[C@H](C2CCN(C(=O)Cc3c(C)noc3C)CC2)N(C)C(=O)c2ccsc2)c1
InChIInChI=1S/C27H33N3O4S/c1-18-24(19(2)34-28-18)16-26(31)30-11-8-21(9-12-30)25(15-20-6-5-7-23(14-20)33-4)29(3)27(32)22-10-13-35-17-22/h5-7,10,13-14,17,21,25H,8-9,11-12,15-16H2,1-4H3/t25-/m1/s1
InChIKeyGCRLZHWMARQYGE-RUZDIDTESA-N
XLogP4.53
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 45204564
N-[(1R)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 42482993
N-[2-(3-methoxyphenyl)-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethyl]-N-methylpyridine-2-carboxamide
CID 45177058
N-[2-(3-methoxyphenyl)-1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 118757312
N-[(1S)-1-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide
CID 42435726
N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45214659
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-methyl-N-[2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45233989
N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 25290635
N-[(1R)-2-(3-methoxyphenyl)-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26403696
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42441873
N-[1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 45198411

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide (CID 26278267) is N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide is COc1cccc(C[C@H](C2CCN(C(=O)Cc3c(C)noc3C)CC2)N(C)C(=O)c2ccsc2)c1.
What is the InChIKey of N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is GCRLZHWMARQYGE-RUZDIDTESA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-18-24(19(2)34-28-18)16-26(31)30-11-8-21(9-12-30)25(15-20-6-5-7-23(14-20)33-4)29(3)27(32)22-10-13-35-17-22/h5-7,10,13-14,17,21,25H,8-9,11-12,15-16H2,1-4H3/t25-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide?
N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 26278267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).