N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide

C22H27N3O2 — CID 110314943

IUPACN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
SMILESCN1CCN(CC(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-24-13-15-25(16-14-24)17-21(26)19-8-10-20(11-9-19)23-22(27)12-7-18-5-3-2-4-6-18/h2-6,8-11H,7,12-17H2,1H3,(H,23,27)
InChIKeyDJVPFXSWNYIHNB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.69
Rot. Bonds7

About N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide (PubChem CID 110314943) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
PubChem CID110314943
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
SMILESCN1CCN(CC(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-24-13-15-25(16-14-24)17-21(26)19-8-10-20(11-9-19)23-22(27)12-7-18-5-3-2-4-6-18/h2-6,8-11H,7,12-17H2,1H3,(H,23,27)
InChIKeyDJVPFXSWNYIHNB-UHFFFAOYSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
CID 110634314
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
(E)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbut-2-enamide
CID 110312545
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
CID 110314912
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
4-(3-phenylpropanoylamino)benzamide
CID 675903
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 108743738

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide (CID 110314943) is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide is CN1CCN(CC(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide?
The InChIKey is DJVPFXSWNYIHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-13-15-25(16-14-24)17-21(26)19-8-10-20(11-9-19)23-22(27)12-7-18-5-3-2-4-6-18/h2-6,8-11H,7,12-17H2,1H3,(H,23,27).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide?
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 110314943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).