N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide

C22H28N2O — CID 26681867

IUPACN-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-17(2)19-8-10-20(11-9-19)22(25)23-21-12-14-24(15-13-21)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,23,25)
InChIKeyFFFZJQPZWTYTKU-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.20
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide

N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide (PubChem CID 26681867) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
PubChem CID26681867
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-17(2)19-8-10-20(11-9-19)22(25)23-21-12-14-24(15-13-21)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,23,25)
InChIKeyFFFZJQPZWTYTKU-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
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N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
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N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
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N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
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N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide (CID 26681867) is N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide?
The InChIKey is FFFZJQPZWTYTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(2)19-8-10-20(11-9-19)22(25)23-21-12-14-24(15-13-21)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide?
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide has a molecular weight of 336.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 26681867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).