2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide

C22H30N2O — CID 142821348

IUPAC2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
SMILESCC1C=CC(CNC(=O)CC2(Cc3ccccc3)CCNCC2)=CC1
InChIInChI=1S/C22H30N2O/c1-18-7-9-20(10-8-18)17-24-21(25)16-22(11-13-23-14-12-22)15-19-5-3-2-4-6-19/h2-7,9-10,18,23H,8,11-17H2,1H3,(H,24,25)
InChIKeySKSYWVRRZDISCT-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.63
Rot. Bonds6

About 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide

2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide (PubChem CID 142821348) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
PubChem CID142821348
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
SMILESCC1C=CC(CNC(=O)CC2(Cc3ccccc3)CCNCC2)=CC1
InChIInChI=1S/C22H30N2O/c1-18-7-9-20(10-8-18)17-24-21(25)16-22(11-13-23-14-12-22)15-19-5-3-2-4-6-19/h2-7,9-10,18,23H,8,11-17H2,1H3,(H,24,25)
InChIKeySKSYWVRRZDISCT-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide (CID 142821348) is 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide is CC1C=CC(CNC(=O)CC2(Cc3ccccc3)CCNCC2)=CC1.
What is the InChIKey of 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The InChIKey is SKSYWVRRZDISCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18-7-9-20(10-8-18)17-24-21(25)16-22(11-13-23-14-12-22)15-19-5-3-2-4-6-19/h2-7,9-10,18,23H,8,11-17H2,1H3,(H,24,25).
What are the key properties of 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide has a molecular weight of 338.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 142821348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).