2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide

C19H24N4O2 — CID 111035918

IUPAC2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C/N=C(/Nc1ccccc1)N1CCCCC1)NCc1ccco1
InChIInChI=1S/C19H24N4O2/c24-18(20-14-17-10-7-13-25-17)15-21-19(23-11-5-2-6-12-23)22-16-8-3-1-4-9-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,20,24)(H,21,22)
InChIKeyVPUYAQQYVURPPO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.85
Rot. Bonds5

About 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide

2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 111035918) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID111035918
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C/N=C(/Nc1ccccc1)N1CCCCC1)NCc1ccco1
InChIInChI=1S/C19H24N4O2/c24-18(20-14-17-10-7-13-25-17)15-21-19(23-11-5-2-6-12-23)22-16-8-3-1-4-9-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,20,24)(H,21,22)
InChIKeyVPUYAQQYVURPPO-UHFFFAOYSA-N
XLogP2.85
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111152520
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9458136
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110937849
1-(furan-2-ylmethyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 2954454
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70330321

Frequently Asked Questions

What is the IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide (CID 111035918) is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide is O=C(C/N=C(/Nc1ccccc1)N1CCCCC1)NCc1ccco1.
What is the InChIKey of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VPUYAQQYVURPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(20-14-17-10-7-13-25-17)15-21-19(23-11-5-2-6-12-23)22-16-8-3-1-4-9-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,20,24)(H,21,22).
What are the key properties of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 111035918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).