2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide

C24H34N4O — CID 142792323

IUPAC2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
SMILESCCc1ccccc1C(CCc1ccncc1)(NCCC1CCNCC1)C(N)=O
InChIInChI=1S/C24H34N4O/c1-2-21-5-3-4-6-22(21)24(23(25)29,13-7-19-8-14-26-15-9-19)28-18-12-20-10-16-27-17-11-20/h3-6,8-9,14-15,20,27-28H,2,7,10-13,16-18H2,1H3,(H2,25,29)
InChIKeyAPCWLXJLRHCDIK-UHFFFAOYSA-N
MW394.56 g/mol
LogP2.94
Rot. Bonds10

About 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide

2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide (PubChem CID 142792323) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
PubChem CID142792323
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
SMILESCCc1ccccc1C(CCc1ccncc1)(NCCC1CCNCC1)C(N)=O
InChIInChI=1S/C24H34N4O/c1-2-21-5-3-4-6-22(21)24(23(25)29,13-7-19-8-14-26-15-9-19)28-18-12-20-10-16-27-17-11-20/h3-6,8-9,14-15,20,27-28H,2,7,10-13,16-18H2,1H3,(H2,25,29)
InChIKeyAPCWLXJLRHCDIK-UHFFFAOYSA-N
XLogP2.94
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
The IUPAC name of 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide (CID 142792323) is 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
The canonical SMILES for 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide is CCc1ccccc1C(CCc1ccncc1)(NCCC1CCNCC1)C(N)=O.
What is the InChIKey of 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
The InChIKey is APCWLXJLRHCDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-21-5-3-4-6-22(21)24(23(25)29,13-7-19-8-14-26-15-9-19)28-18-12-20-10-16-27-17-11-20/h3-6,8-9,14-15,20,27-28H,2,7,10-13,16-18H2,1H3,(H2,25,29).
What are the key properties of 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide?
2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide has a molecular weight of 394.56 g/mol, XLogP of 2.94, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide is sourced from PubChem (CID 142792323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).