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

C16H25N3O3 — CID 119316694

IUPACN-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)CCCN)CC2)c(C)o1
InChIInChI=1S/C16H25N3O3/c1-11-10-14(12(2)22-11)16(21)18-13-5-8-19(9-6-13)15(20)4-3-7-17/h10,13H,3-9,17H2,1-2H3,(H,18,21)
InChIKeyUGDPNOMEZHSLTJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.36
Rot. Bonds5

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

N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 119316694) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID119316694
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)CCCN)CC2)c(C)o1
InChIInChI=1S/C16H25N3O3/c1-11-10-14(12(2)22-11)16(21)18-13-5-8-19(9-6-13)15(20)4-3-7-17/h10,13H,3-9,17H2,1-2H3,(H,18,21)
InChIKeyUGDPNOMEZHSLTJ-UHFFFAOYSA-N
XLogP1.36
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771781
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119938637
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71879738
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide
CID 166420856
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 120988801

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 119316694) is N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)CCCN)CC2)c(C)o1.
What is the InChIKey of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is UGDPNOMEZHSLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-10-14(12(2)22-11)16(21)18-13-5-8-19(9-6-13)15(20)4-3-7-17/h10,13H,3-9,17H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 119316694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).