N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H28N4O — CID 4884816

IUPACN-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NC1CCCCCC1
InChIInChI=1S/C18H28N4O/c23-18(20-16-7-3-1-2-4-8-16)15-21-11-13-22(14-12-21)17-9-5-6-10-19-17/h5-6,9-10,16H,1-4,7-8,11-15H2,(H,20,23)
InChIKeySIXPHJYOQRIXTE-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.04
Rot. Bonds4

About N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 4884816) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID4884816
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NC1CCCCCC1
InChIInChI=1S/C18H28N4O/c23-18(20-16-7-3-1-2-4-8-16)15-21-11-13-22(14-12-21)17-9-5-6-10-19-17/h5-6,9-10,16H,1-4,7-8,11-15H2,(H,20,23)
InChIKeySIXPHJYOQRIXTE-UHFFFAOYSA-N
XLogP2.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119477889
N-cyclohexyl-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 68873162
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-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546679
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 4884816) is N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is SIXPHJYOQRIXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(20-16-7-3-1-2-4-8-16)15-21-11-13-22(14-12-21)17-9-5-6-10-19-17/h5-6,9-10,16H,1-4,7-8,11-15H2,(H,20,23).
What are the key properties of N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4884816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).