N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide

C25H29N3O3S — CID 45245666

IUPACN,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)C(Cc1ccccc1)C1CCN(C(=O)Cc2cscn2)CC1
InChIInChI=1S/C25H29N3O3S/c1-18-22(10-13-31-18)25(30)27(2)23(14-19-6-4-3-5-7-19)20-8-11-28(12-9-20)24(29)15-21-16-32-17-26-21/h3-7,10,13,16-17,20,23H,8-9,11-12,14-15H2,1-2H3
InChIKeyUJUBKQMDNDLUQE-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.21
Rot. Bonds7

About N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide

N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide (PubChem CID 45245666) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide
PubChem CID45245666
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)C(Cc1ccccc1)C1CCN(C(=O)Cc2cscn2)CC1
InChIInChI=1S/C25H29N3O3S/c1-18-22(10-13-31-18)25(30)27(2)23(14-19-6-4-3-5-7-19)20-8-11-28(12-9-20)24(29)15-21-16-32-17-26-21/h3-7,10,13,16-17,20,23H,8-9,11-12,14-15H2,1-2H3
InChIKeyUJUBKQMDNDLUQE-UHFFFAOYSA-N
XLogP4.21
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
CID 126464322
N,2-dimethyl-N-[(1R)-2-phenyl-1-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]ethyl]furan-3-carboxamide
CID 42485147
N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
CID 29257696
N-[(1S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352988
N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352991
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-[1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 45217634
N,2-dimethyl-N-[(1S)-2-phenyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]ethyl]furan-3-carboxamide
CID 26357642
N-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 42544541
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 45238794
N-[(1S)-2-(2-fluorophenyl)-1-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42380705
N-methyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 126465588

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide (CID 45245666) is N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide is Cc1occc1C(=O)N(C)C(Cc1ccccc1)C1CCN(C(=O)Cc2cscn2)CC1.
What is the InChIKey of N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide?
The InChIKey is UJUBKQMDNDLUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-18-22(10-13-31-18)25(30)27(2)23(14-19-6-4-3-5-7-19)20-8-11-28(12-9-20)24(29)15-21-16-32-17-26-21/h3-7,10,13,16-17,20,23H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide?
N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 45245666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).