N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide

C23H29N3O4 — CID 56512423

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C23H29N3O4/c1-4-25(15-17-5-7-18(8-6-17)21(27)24(2)3)22(28)19-9-12-26(13-10-19)23(29)20-11-14-30-16-20/h5-8,11,14,16,19H,4,9-10,12-13,15H2,1-3H3
InChIKeyUSGXLEYJNWJEGL-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.88
Rot. Bonds6

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 56512423) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID56512423
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C23H29N3O4/c1-4-25(15-17-5-7-18(8-6-17)21(27)24(2)3)22(28)19-9-12-26(13-10-19)23(29)20-11-14-30-16-20/h5-8,11,14,16,19H,4,9-10,12-13,15H2,1-3H3
InChIKeyUSGXLEYJNWJEGL-UHFFFAOYSA-N
XLogP2.88
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 56511013
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048626
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-cyclopropyl-1-(furan-3-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35734927
1-(furan-3-carbonyl)-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134059017
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 56511645
4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide
CID 110015673
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35706852

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 56512423) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is USGXLEYJNWJEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-25(15-17-5-7-18(8-6-17)21(27)24(2)3)22(28)19-9-12-26(13-10-19)23(29)20-11-14-30-16-20/h5-8,11,14,16,19H,4,9-10,12-13,15H2,1-3H3.
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 56512423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).