N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C23H31N3O3 — CID 46523666

IUPACN-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC1CCN(CCCNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C23H31N3O3/c1-18-10-14-26(15-11-18)13-6-12-24-22(27)20(17-19-7-3-2-4-8-19)25-23(28)21-9-5-16-29-21/h2-5,7-9,16,18,20H,6,10-15,17H2,1H3,(H,24,27)(H,25,28)
InChIKeyGINWNYZTAKWALS-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.86
Rot. Bonds9

About N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 46523666) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID46523666
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC1CCN(CCCNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C23H31N3O3/c1-18-10-14-26(15-11-18)13-6-12-24-22(27)20(17-19-7-3-2-4-8-19)25-23(28)21-9-5-16-29-21/h2-5,7-9,16,18,20H,6,10-15,17H2,1H3,(H,24,27)(H,25,28)
InChIKeyGINWNYZTAKWALS-UHFFFAOYSA-N
XLogP2.86
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111386974
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 47089613
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55862998
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55708734
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 46523666) is N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CC1CCN(CCCNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is GINWNYZTAKWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18-10-14-26(15-11-18)13-6-12-24-22(27)20(17-19-7-3-2-4-8-19)25-23(28)21-9-5-16-29-21/h2-5,7-9,16,18,20H,6,10-15,17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46523666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).