4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride

C15H21ClN2O3 — CID 19415966

IUPAC4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
SMILESO=C(Cl)CCCNC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C15H21ClN2O3/c16-14(19)5-4-8-17-15(20)13-7-6-12(21-13)11-18-9-2-1-3-10-18/h6-7H,1-5,8-11H2,(H,17,20)
InChIKeyAZSVWBIYPBOMEL-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.54
Rot. Bonds7

About 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride

4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride (PubChem CID 19415966) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride.

Molecular Properties

Compound Name4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
PubChem CID19415966
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
SMILESO=C(Cl)CCCNC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C15H21ClN2O3/c16-14(19)5-4-8-17-15(20)13-7-6-12(21-13)11-18-9-2-1-3-10-18/h6-7H,1-5,8-11H2,(H,17,20)
InChIKeyAZSVWBIYPBOMEL-UHFFFAOYSA-N
XLogP2.54
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416094
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416093
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
N-[3-(4-hydroxyphenyl)propyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 74230046
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42858759
5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 131896298

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride?
The IUPAC name of 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride (CID 19415966) is 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride.
What is the SMILES notation for 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride?
The canonical SMILES for 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride is O=C(Cl)CCCNC(=O)c1ccc(CN2CCCCC2)o1.
What is the InChIKey of 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride?
The InChIKey is AZSVWBIYPBOMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c16-14(19)5-4-8-17-15(20)13-7-6-12(21-13)11-18-9-2-1-3-10-18/h6-7H,1-5,8-11H2,(H,17,20).
What are the key properties of 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride?
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride has a molecular weight of 312.80 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride is sourced from PubChem (CID 19415966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).