N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide

C23H28N2O4 — CID 49351081

IUPACN-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N3CCCC(C(=O)NC4CC4)C3)o2)c(C)c1
InChIInChI=1S/C23H28N2O4/c1-15-5-9-20(16(2)12-15)28-14-19-8-10-21(29-19)23(27)25-11-3-4-17(13-25)22(26)24-18-6-7-18/h5,8-10,12,17-18H,3-4,6-7,11,13-14H2,1-2H3,(H,24,26)
InChIKeyHOALUFWPNUUMHX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.61
Rot. Bonds6

About N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide

N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide (PubChem CID 49351081) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide
PubChem CID49351081
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N3CCCC(C(=O)NC4CC4)C3)o2)c(C)c1
InChIInChI=1S/C23H28N2O4/c1-15-5-9-20(16(2)12-15)28-14-19-8-10-21(29-19)23(27)25-11-3-4-17(13-25)22(26)24-18-6-7-18/h5,8-10,12,17-18H,3-4,6-7,11,13-14H2,1-2H3,(H,24,26)
InChIKeyHOALUFWPNUUMHX-UHFFFAOYSA-N
XLogP3.61
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492924
(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 129415278
azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 35524316
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651643
1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 91644849
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931
N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56879299
1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide
CID 103811056

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide (CID 49351081) is N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide is Cc1ccc(OCc2ccc(C(=O)N3CCCC(C(=O)NC4CC4)C3)o2)c(C)c1.
What is the InChIKey of N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is HOALUFWPNUUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15-5-9-20(16(2)12-15)28-14-19-8-10-21(29-19)23(27)25-11-3-4-17(13-25)22(26)24-18-6-7-18/h5,8-10,12,17-18H,3-4,6-7,11,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 49351081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).