4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide

C22H25N3O3 — CID 108552084

IUPAC4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-2-4-17(5-3-16)20(26)6-7-21(27)24-19-10-14-25(15-11-19)22(28)18-8-12-23-13-9-18/h2-5,8-9,12-13,19H,6-7,10-11,14-15H2,1H3,(H,24,27)
InChIKeyAUCJXXJQKRRSPF-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds6

About 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide

4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (PubChem CID 108552084) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
PubChem CID108552084
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-2-4-17(5-3-16)20(26)6-7-21(27)24-19-10-14-25(15-11-19)22(28)18-8-12-23-13-9-18/h2-5,8-9,12-13,19H,6-7,10-11,14-15H2,1H3,(H,24,27)
InChIKeyAUCJXXJQKRRSPF-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
CID 108552059
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (CID 108552084) is 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is AUCJXXJQKRRSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-2-4-17(5-3-16)20(26)6-7-21(27)24-19-10-14-25(15-11-19)22(28)18-8-12-23-13-9-18/h2-5,8-9,12-13,19H,6-7,10-11,14-15H2,1H3,(H,24,27).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 379.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108552084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).