N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

C20H25N3O3 — CID 119316682

IUPACN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)C(N)c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C20H25N3O3/c1-13-12-17(14(2)26-13)19(24)22-16-8-10-23(11-9-16)20(25)18(21)15-6-4-3-5-7-15/h3-7,12,16,18H,8-11,21H2,1-2H3,(H,22,24)
InChIKeySMWAJERHFBYDCY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.32
Rot. Bonds4

About N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 119316682) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID119316682
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)C(N)c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C20H25N3O3/c1-13-12-17(14(2)26-13)19(24)22-16-8-10-23(11-9-16)20(25)18(21)15-6-4-3-5-7-15/h3-7,12,16,18H,8-11,21H2,1-2H3,(H,22,24)
InChIKeySMWAJERHFBYDCY-UHFFFAOYSA-N
XLogP2.32
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771781
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119771791
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
2,5-dimethyl-N-[1-[2-(methylcarbamoylamino)acetyl]piperidin-4-yl]furan-3-carboxamide
CID 138995224
N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 111537911
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 71879750
2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide
CID 166420856

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 119316682) is N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)C(N)c3ccccc3)CC2)c(C)o1.
What is the InChIKey of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SMWAJERHFBYDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-12-17(14(2)26-13)19(24)22-16-8-10-23(11-9-16)20(25)18(21)15-6-4-3-5-7-15/h3-7,12,16,18H,8-11,21H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 119316682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).