4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide

C20H25N3O — CID 34947002

IUPAC4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c21-20(24)19-8-6-18(7-9-19)16-23-14-12-22(13-15-23)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,21,24)
InChIKeyYPGJCKXRDYNGHL-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.15
Rot. Bonds6

About 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide

4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 34947002) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
PubChem CID34947002
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c21-20(24)19-8-6-18(7-9-19)16-23-14-12-22(13-15-23)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,21,24)
InChIKeyYPGJCKXRDYNGHL-UHFFFAOYSA-N
XLogP2.15
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
4-(2-piperazin-1-ylethyl)benzamide
CID 84696960
4-(2-phenylethyl)benzamide
CID 23130460
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
2-[4-[2-(4-benzylpiperazin-1-yl)ethyl]phenyl]-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 70468668
2-(4-benzylpiperazin-1-yl)ethyl benzoate
CID 24842101
1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126776
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
ethyl 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]benzoate
CID 11989461

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide (CID 34947002) is 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is YPGJCKXRDYNGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-20(24)19-8-6-18(7-9-19)16-23-14-12-22(13-15-23)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,21,24).
What are the key properties of 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide?
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 34947002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).