N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

C21H34N4O — CID 30728730

IUPACN-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCN1CCC(NC(=O)CN2CCN(Cc3cccc(C)c3)CC2)CC1
InChIInChI=1S/C21H34N4O/c1-3-23-9-7-20(8-10-23)22-21(26)17-25-13-11-24(12-14-25)16-19-6-4-5-18(2)15-19/h4-6,15,20H,3,7-14,16-17H2,1-2H3,(H,22,26)
InChIKeyWYFAAIMNYCJDIC-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.71
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 30728730) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID30728730
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCN1CCC(NC(=O)CN2CCN(Cc3cccc(C)c3)CC2)CC1
InChIInChI=1S/C21H34N4O/c1-3-23-9-7-20(8-10-23)22-21(26)17-25-13-11-24(12-14-25)16-19-6-4-5-18(2)15-19/h4-6,15,20H,3,7-14,16-17H2,1-2H3,(H,22,26)
InChIKeyWYFAAIMNYCJDIC-UHFFFAOYSA-N
XLogP1.71
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
2-[(2-chlorophenyl)methoxy]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 47057697
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 30728730) is N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is CCN1CCC(NC(=O)CN2CCN(Cc3cccc(C)c3)CC2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is WYFAAIMNYCJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-3-23-9-7-20(8-10-23)22-21(26)17-25-13-11-24(12-14-25)16-19-6-4-5-18(2)15-19/h4-6,15,20H,3,7-14,16-17H2,1-2H3,(H,22,26).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 358.53 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30728730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).