N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide

C21H32N2O2 — CID 170668441

IUPACN-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)C(=O)c1ccc(C(=O)NC2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-20(2,3)18(24)15-7-9-16(10-8-15)19(25)22-17-11-13-23(14-12-17)21(4,5)6/h7-10,17H,11-14H2,1-6H3,(H,22,25)
InChIKeyKNPPMPOCXINVOK-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.91
Rot. Bonds3

About N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide

N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide (PubChem CID 170668441) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
PubChem CID170668441
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)C(=O)c1ccc(C(=O)NC2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-20(2,3)18(24)15-7-9-16(10-8-15)19(25)22-17-11-13-23(14-12-17)21(4,5)6/h7-10,17H,11-14H2,1-6H3,(H,22,25)
InChIKeyKNPPMPOCXINVOK-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide (CID 170668441) is N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide is CC(C)(C)C(=O)c1ccc(C(=O)NC2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide?
The InChIKey is KNPPMPOCXINVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-20(2,3)18(24)15-7-9-16(10-8-15)19(25)22-17-11-13-23(14-12-17)21(4,5)6/h7-10,17H,11-14H2,1-6H3,(H,22,25).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide?
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide has a molecular weight of 344.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide is sourced from PubChem (CID 170668441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).