N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide

C12H16ClN3O2 — CID 131878401

IUPACN-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NN=Cc1ccc(Cl)o1
InChIInChI=1S/C12H16ClN3O2/c13-11-5-4-10(18-11)8-14-15-12(17)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,17)
InChIKeyTXSZGQOHHNSDCL-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.87
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 131878401) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID131878401
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NN=Cc1ccc(Cl)o1
InChIInChI=1S/C12H16ClN3O2/c13-11-5-4-10(18-11)8-14-15-12(17)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,17)
InChIKeyTXSZGQOHHNSDCL-UHFFFAOYSA-N
XLogP1.87
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide;hydrate;hydrochloride
CID 134098075
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426518
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 136688596
2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 786240
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide (CID 131878401) is N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)NN=Cc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is TXSZGQOHHNSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-5-4-10(18-11)8-14-15-12(17)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,17).
What are the key properties of N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 269.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 131878401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).