5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide

C25H33N3O2 — CID 4302250

IUPAC5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C25H33N3O2/c1-18(19-11-7-5-8-12-19)26-23(29)21-17-20(27-24(30)25(2,3)4)13-14-22(21)28-15-9-6-10-16-28/h5,7-8,11-14,17-18H,6,9-10,15-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyJZCORIBVSCHFBO-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.15
Rot. Bonds5

About 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide

5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide (PubChem CID 4302250) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
PubChem CID4302250
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C25H33N3O2/c1-18(19-11-7-5-8-12-19)26-23(29)21-17-20(27-24(30)25(2,3)4)13-14-22(21)28-15-9-6-10-16-28/h5,7-8,11-14,17-18H,6,9-10,15-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyJZCORIBVSCHFBO-UHFFFAOYSA-N
XLogP5.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 3959596
5-(3,3-dimethylbutanoylamino)-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066129
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
5-[[(2S)-2-chloropropanoyl]amino]-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066160
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 7129874
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125
5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302536
tert-butyl 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 46185969
5-[(4-ethoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 93099771
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4544278
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide (CID 4302250) is 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide is CC(NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCCCC1)c1ccccc1.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The InChIKey is JZCORIBVSCHFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18(19-11-7-5-8-12-19)26-23(29)21-17-20(27-24(30)25(2,3)4)13-14-22(21)28-15-9-6-10-16-28/h5,7-8,11-14,17-18H,6,9-10,15-16H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide has a molecular weight of 407.56 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4302250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).