N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C24H30N4O4 — CID 16589868

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCN(C(=O)c3ccco3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C24H30N4O4/c29-22(25-19-5-2-1-3-6-19)17-27-12-10-20(11-13-27)26-23(30)18-8-14-28(15-9-18)24(31)21-7-4-16-32-21/h1-7,16,18,20H,8-15,17H2,(H,25,29)(H,26,30)
InChIKeyJKVJGXKIELOVHO-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.35
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 16589868) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID16589868
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCN(C(=O)c3ccco3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C24H30N4O4/c29-22(25-19-5-2-1-3-6-19)17-27-12-10-20(11-13-27)26-23(30)18-8-14-28(15-9-18)24(31)21-7-4-16-32-21/h1-7,16,18,20H,8-15,17H2,(H,25,29)(H,26,30)
InChIKeyJKVJGXKIELOVHO-UHFFFAOYSA-N
XLogP2.35
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55941269
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 16613527
N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16909781
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129397980
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 16589868) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(CN1CCC(NC(=O)C2CCN(C(=O)c3ccco3)CC2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JKVJGXKIELOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-22(25-19-5-2-1-3-6-19)17-27-12-10-20(11-13-27)26-23(30)18-8-14-28(15-9-18)24(31)21-7-4-16-32-21/h1-7,16,18,20H,8-15,17H2,(H,25,29)(H,26,30).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16589868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).