N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide

C25H32N4O4 — CID 16909781

IUPACN-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1C
InChIInChI=1S/C25H32N4O4/c1-18-5-6-21(16-19(18)2)26-23(30)17-27-9-7-20(8-10-27)24(31)28-11-13-29(14-12-28)25(32)22-4-3-15-33-22/h3-6,15-16,20H,7-14,17H2,1-2H3,(H,26,30)
InChIKeyGQMLWVBNWTYNRZ-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.53
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 16909781) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID16909781
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1C
InChIInChI=1S/C25H32N4O4/c1-18-5-6-21(16-19(18)2)26-23(30)17-27-9-7-20(8-10-27)24(31)28-11-13-29(14-12-28)25(32)22-4-3-15-33-22/h3-6,15-16,20H,7-14,17H2,1-2H3,(H,26,30)
InChIKeyGQMLWVBNWTYNRZ-UHFFFAOYSA-N
XLogP2.53
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16827199
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16589868
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide (CID 16909781) is N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is GQMLWVBNWTYNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-18-5-6-21(16-19(18)2)26-23(30)17-27-9-7-20(8-10-27)24(31)28-11-13-29(14-12-28)25(32)22-4-3-15-33-22/h3-6,15-16,20H,7-14,17H2,1-2H3,(H,26,30).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 16909781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).