N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide

C22H30N4O — CID 92850913

IUPACN-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)CN3CCCCC3)c2C)c1
InChIInChI=1S/C22H30N4O/c1-16-10-17(2)12-21(11-16)26-18(3)13-20(19(26)4)14-23-24-22(27)15-25-8-6-5-7-9-25/h10-14H,5-9,15H2,1-4H3,(H,24,27)/b23-14-
InChIKeyCIKJLGWFKMPHLQ-UCQKPKSFSA-N
MW366.51 g/mol
LogP3.65
Rot. Bonds5

About N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide

N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 92850913) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID92850913
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)CN3CCCCC3)c2C)c1
InChIInChI=1S/C22H30N4O/c1-16-10-17(2)12-21(11-16)26-18(3)13-20(19(26)4)14-23-24-22(27)15-25-8-6-5-7-9-25/h10-14H,5-9,15H2,1-4H3,(H,24,27)/b23-14-
InChIKeyCIKJLGWFKMPHLQ-UCQKPKSFSA-N
XLogP3.65
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 92850907
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylbenzamide
CID 92851154
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126190993
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 94845496
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 92850692
2-(3-chloro-N-methylsulfonylanilino)-N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 6876865
N-[(Z)-[4-bromo-2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide
CID 92663452
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
2-bromo-N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 94845484
3,4-dichloro-N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 94845483
2-anilino-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 7933354

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide (CID 92850913) is N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide is Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)CN3CCCCC3)c2C)c1.
What is the InChIKey of N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is CIKJLGWFKMPHLQ-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-10-17(2)12-21(11-16)26-18(3)13-20(19(26)4)14-23-24-22(27)15-25-8-6-5-7-9-25/h10-14H,5-9,15H2,1-4H3,(H,24,27)/b23-14-.
What are the key properties of N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide?
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 366.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 92850913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).