2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide

C23H32N4O — CID 142792657

IUPAC2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
SMILESCc1cccc(C(CCc2ccncc2)(NCCC2CCNCC2)C(N)=O)c1
InChIInChI=1S/C23H32N4O/c1-18-3-2-4-21(17-18)23(22(24)28,11-5-19-6-12-25-13-7-19)27-16-10-20-8-14-26-15-9-20/h2-4,6-7,12-13,17,20,26-27H,5,8-11,14-16H2,1H3,(H2,24,28)
InChIKeyAMKPPBACNALFEJ-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.68
Rot. Bonds9

About 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide

2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide (PubChem CID 142792657) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
PubChem CID142792657
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
SMILESCc1cccc(C(CCc2ccncc2)(NCCC2CCNCC2)C(N)=O)c1
InChIInChI=1S/C23H32N4O/c1-18-3-2-4-21(17-18)23(22(24)28,11-5-19-6-12-25-13-7-19)27-16-10-20-8-14-26-15-9-20/h2-4,6-7,12-13,17,20,26-27H,5,8-11,14-16H2,1H3,(H2,24,28)
InChIKeyAMKPPBACNALFEJ-UHFFFAOYSA-N
XLogP2.68
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
The IUPAC name of 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide (CID 142792657) is 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
The canonical SMILES for 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide is Cc1cccc(C(CCc2ccncc2)(NCCC2CCNCC2)C(N)=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
The InChIKey is AMKPPBACNALFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18-3-2-4-21(17-18)23(22(24)28,11-5-19-6-12-25-13-7-19)27-16-10-20-8-14-26-15-9-20/h2-4,6-7,12-13,17,20,26-27H,5,8-11,14-16H2,1H3,(H2,24,28).
What are the key properties of 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide has a molecular weight of 380.54 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide is sourced from PubChem (CID 142792657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).