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

C17H29N5O — CID 120870391

IUPACN-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)NC1CCCCCC1
InChIInChI=1S/C17H29N5O/c1-21-10-9-19-17(21)15-12-18-8-11-22(15)13-16(23)20-14-6-4-2-3-5-7-14/h9-10,14-15,18H,2-8,11-13H2,1H3,(H,20,23)
InChIKeyFYDIUNVSFYWSAO-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.21
Rot. Bonds4

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

N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120870391) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120870391
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)NC1CCCCCC1
InChIInChI=1S/C17H29N5O/c1-21-10-9-19-17(21)15-12-18-8-11-22(15)13-16(23)20-14-6-4-2-3-5-7-14/h9-10,14-15,18H,2-8,11-13H2,1H3,(H,20,23)
InChIKeyFYDIUNVSFYWSAO-UHFFFAOYSA-N
XLogP1.21
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025
N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870995
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870144
N-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120870391) is N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is Cn1ccnc1C1CNCCN1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is FYDIUNVSFYWSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-21-10-9-19-17(21)15-12-18-8-11-22(15)13-16(23)20-14-6-4-2-3-5-7-14/h9-10,14-15,18H,2-8,11-13H2,1H3,(H,20,23).
What are the key properties of N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120870391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).