4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

C21H33N3O — CID 44579428

IUPAC4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-22(16-17-23-12-6-3-7-13-23)21(25)24-14-10-20(11-15-24)18-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3
InChIKeyXSCNGNHXXLTFCK-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.48
Rot. Bonds5

About 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 44579428) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID44579428
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-22(16-17-23-12-6-3-7-13-23)21(25)24-14-10-20(11-15-24)18-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3
InChIKeyXSCNGNHXXLTFCK-UHFFFAOYSA-N
XLogP3.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (CID 44579428) is 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is XSCNGNHXXLTFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-22(16-17-23-12-6-3-7-13-23)21(25)24-14-10-20(11-15-24)18-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3.
What are the key properties of 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 44579428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).