4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide

C18H25N5O — CID 95287075

IUPAC4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1Cc1nccn1C
InChIInChI=1S/C18H25N5O/c1-14-11-22(12-15-3-5-16(6-4-15)18(19)24)9-10-23(14)13-17-20-7-8-21(17)2/h3-8,14H,9-13H2,1-2H3,(H2,19,24)/t14-/m1/s1
InChIKeyUBDHKQMGCRFFEP-CQSZACIVSA-N
MW327.43 g/mol
LogP1.23
Rot. Bonds5

About 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide

4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide (PubChem CID 95287075) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
PubChem CID95287075
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1Cc1nccn1C
InChIInChI=1S/C18H25N5O/c1-14-11-22(12-15-3-5-16(6-4-15)18(19)24)9-10-23(14)13-17-20-7-8-21(17)2/h3-8,14H,9-13H2,1-2H3,(H2,19,24)/t14-/m1/s1
InChIKeyUBDHKQMGCRFFEP-CQSZACIVSA-N
XLogP1.23
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95305075
3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302
2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95294975
1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol
CID 95284674
(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 100838841
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95350449
2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95291066
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
CID 75517917
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide (CID 95287075) is 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide is C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1Cc1nccn1C.
What is the InChIKey of 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is UBDHKQMGCRFFEP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-11-22(12-15-3-5-16(6-4-15)18(19)24)9-10-23(14)13-17-20-7-8-21(17)2/h3-8,14H,9-13H2,1-2H3,(H2,19,24)/t14-/m1/s1.
What are the key properties of 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide?
4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 95287075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).