[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone

C22H29N3O — CID 59768410

IUPAC[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)(C)NCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-22(2,3)23-17-18-9-11-19(12-10-18)21(26)25-15-13-24(14-16-25)20-7-5-4-6-8-20/h4-12,23H,13-17H2,1-3H3
InChIKeyXZEHODLMCAUOGF-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.54
Rot. Bonds4

About [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone

[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 59768410) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID59768410
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)(C)NCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-22(2,3)23-17-18-9-11-19(12-10-18)21(26)25-15-13-24(14-16-25)20-7-5-4-6-8-20/h4-12,23H,13-17H2,1-3H3
InChIKeyXZEHODLMCAUOGF-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(tert-butylamino)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 59768517
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[4-(benzylamino)-3-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579354
[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 91187389
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 43920542
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
[4-(anilinomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10476655
4-[[(4-phenyl-1,4-diazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019732
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202

Frequently Asked Questions

What is the IUPAC name of [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 59768410) is [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone is CC(C)(C)NCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XZEHODLMCAUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-22(2,3)23-17-18-9-11-19(12-10-18)21(26)25-15-13-24(14-16-25)20-7-5-4-6-8-20/h4-12,23H,13-17H2,1-3H3.
What are the key properties of [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 351.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 59768410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).