N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

C20H31N3O — CID 6469730

IUPACN-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-17-8-6-7-11-19(17)23-14-12-22(13-15-23)16-20(24)21-18-9-4-2-3-5-10-18/h6-8,11,18H,2-5,9-10,12-16H2,1H3,(H,21,24)
InChIKeyXTEOUAIIVCDVDP-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.96
Rot. Bonds4

About N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 6469730) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
PubChem CID6469730
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-17-8-6-7-11-19(17)23-14-12-22(13-15-23)16-20(24)21-18-9-4-2-3-5-10-18/h6-8,11,18H,2-5,9-10,12-16H2,1H3,(H,21,24)
InChIKeyXTEOUAIIVCDVDP-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 17396044
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725790
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (CID 6469730) is N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is Cc1ccccc1N1CCN(CC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is XTEOUAIIVCDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-8-6-7-11-19(17)23-14-12-22(13-15-23)16-20(24)21-18-9-4-2-3-5-10-18/h6-8,11,18H,2-5,9-10,12-16H2,1H3,(H,21,24).
What are the key properties of N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6469730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).