(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide

C21H28N4O — CID 95215139

IUPAC(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-17(18-7-4-3-5-8-18)15-20(26)23-16-19-9-6-10-22-21(19)25-13-11-24(2)12-14-25/h3-10,17H,11-16H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyZIJJXODHPPZKBY-QGZVFWFLSA-N
MW352.48 g/mol
LogP2.64
Rot. Bonds6

About (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide

(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide (PubChem CID 95215139) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
PubChem CID95215139
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-17(18-7-4-3-5-8-18)15-20(26)23-16-19-9-6-10-22-21(19)25-13-11-24(2)12-14-25/h3-10,17H,11-16H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyZIJJXODHPPZKBY-QGZVFWFLSA-N
XLogP2.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
1-(2,2-diphenylethyl)-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111356926
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide
CID 142144640
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide (CID 95215139) is (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide is C[C@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The InChIKey is ZIJJXODHPPZKBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17(18-7-4-3-5-8-18)15-20(26)23-16-19-9-6-10-22-21(19)25-13-11-24(2)12-14-25/h3-10,17H,11-16H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 95215139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).