4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide

C20H26N4O — CID 10315097

IUPAC4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
SMILESCN1CCN(CCC(C(N)=O)(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C20H26N4O/c1-23-13-15-24(16-14-23)12-10-20(19(21)25,17-7-3-2-4-8-17)18-9-5-6-11-22-18/h2-9,11H,10,12-16H2,1H3,(H2,21,25)
InChIKeySBAVRZKJAMPTRY-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.49
Rot. Bonds6

About 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide

4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide (PubChem CID 10315097) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
PubChem CID10315097
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
SMILESCN1CCN(CCC(C(N)=O)(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C20H26N4O/c1-23-13-15-24(16-14-23)12-10-20(19(21)25,17-7-3-2-4-8-17)18-9-5-6-11-22-18/h2-9,11H,10,12-16H2,1H3,(H2,21,25)
InChIKeySBAVRZKJAMPTRY-UHFFFAOYSA-N
XLogP1.49
TPSA62.46 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide
CID 45038869
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
1-benzhydryl-4-methylpiperazine;4,4-diphenyl-6-piperidin-1-ylhexan-3-one;hydron;dichloride
CID 50987092
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid
CID 66846935
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid
CID 74221742
1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one
CID 963610
ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
CID 59570548
2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide
CID 57038231
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate
CID 86647529
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide (CID 10315097) is 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide is CN1CCN(CCC(C(N)=O)(c2ccccc2)c2ccccn2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide?
The InChIKey is SBAVRZKJAMPTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-13-15-24(16-14-23)12-10-20(19(21)25,17-7-3-2-4-8-17)18-9-5-6-11-22-18/h2-9,11H,10,12-16H2,1H3,(H2,21,25).
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide?
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 10315097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).