4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide

C20H26N4O — CID 47047200

IUPAC4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
SMILESCc1ccc(CCCC(=O)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-16-6-8-17(9-7-16)4-2-5-19(25)23-18-10-14-24(15-11-18)20-21-12-3-13-22-20/h3,6-9,12-13,18H,2,4-5,10-11,14-15H2,1H3,(H,23,25)
InChIKeyJQZRTSIDGCKBNK-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.89
Rot. Bonds6

About 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide

4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide (PubChem CID 47047200) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
PubChem CID47047200
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
SMILESCc1ccc(CCCC(=O)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-16-6-8-17(9-7-16)4-2-5-19(25)23-18-10-14-24(15-11-18)20-21-12-3-13-22-20/h3,6-9,12-13,18H,2,4-5,10-11,14-15H2,1H3,(H,23,25)
InChIKeyJQZRTSIDGCKBNK-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
CID 86866312
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705216
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705373
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 55721141

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide (CID 47047200) is 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide is Cc1ccc(CCCC(=O)NC2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
The InChIKey is JQZRTSIDGCKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-6-8-17(9-7-16)4-2-5-19(25)23-18-10-14-24(15-11-18)20-21-12-3-13-22-20/h3,6-9,12-13,18H,2,4-5,10-11,14-15H2,1H3,(H,23,25).
What are the key properties of 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide?
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide has a molecular weight of 338.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 47047200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).