N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

C19H23N3O3 — CID 119422876

IUPACN-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(CN)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H23N3O3/c1-13-4-5-15(19(24)22-8-6-14(12-20)7-9-22)11-16(13)21-18(23)17-3-2-10-25-17/h2-5,10-11,14H,6-9,12,20H2,1H3,(H,21,23)
InChIKeyAQLSBNJGDJLHLU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.65
Rot. Bonds4

About N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 119422876) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID119422876
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(CN)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H23N3O3/c1-13-4-5-15(19(24)22-8-6-14(12-20)7-9-22)11-16(13)21-18(23)17-3-2-10-25-17/h2-5,10-11,14H,6-9,12,20H2,1H3,(H,21,23)
InChIKeyAQLSBNJGDJLHLU-UHFFFAOYSA-N
XLogP2.65
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 55956380
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
N-[5-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119572236
N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55550875

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (CID 119422876) is N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCC(CN)CC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is AQLSBNJGDJLHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-5-15(19(24)22-8-6-14(12-20)7-9-22)11-16(13)21-18(23)17-3-2-10-25-17/h2-5,10-11,14H,6-9,12,20H2,1H3,(H,21,23).
What are the key properties of N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 119422876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).