4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide

C18H27N3O2 — CID 119745800

IUPAC4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-9-12-21(13-10-14)18(23)15-5-7-16(8-6-15)20-17(22)4-3-11-19-2/h5-8,14,19H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyWXBIABHUDODTIA-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.50
Rot. Bonds6

About 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide

4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide (PubChem CID 119745800) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
PubChem CID119745800
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-9-12-21(13-10-14)18(23)15-5-7-16(8-6-15)20-17(22)4-3-11-19-2/h5-8,14,19H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyWXBIABHUDODTIA-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590016
N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 86874537
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide (CID 119745800) is 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide is CNCCCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The InChIKey is WXBIABHUDODTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-9-12-21(13-10-14)18(23)15-5-7-16(8-6-15)20-17(22)4-3-11-19-2/h5-8,14,19H,3-4,9-13H2,1-2H3,(H,20,22).
What are the key properties of 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide has a molecular weight of 317.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 119745800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).