N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide

C21H32N2O3 — CID 45214844

IUPACN-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C21H32N2O3/c1-25-19-12-6-7-13-20(19)26-16-21(24)22-17-9-8-14-23(15-17)18-10-4-2-3-5-11-18/h6-7,12-13,17-18H,2-5,8-11,14-16H2,1H3,(H,22,24)
InChIKeyBUQHCVIFOCBBND-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.38
Rot. Bonds6

About N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide

N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 45214844) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
PubChem CID45214844
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C21H32N2O3/c1-25-19-12-6-7-13-20(19)26-16-21(24)22-17-9-8-14-23(15-17)18-10-4-2-3-5-11-18/h6-7,12-13,17-18H,2-5,8-11,14-16H2,1H3,(H,22,24)
InChIKeyBUQHCVIFOCBBND-UHFFFAOYSA-N
XLogP3.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 25295085

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide (CID 45214844) is N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NC1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BUQHCVIFOCBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-19-12-6-7-13-20(19)26-16-21(24)22-17-9-8-14-23(15-17)18-10-4-2-3-5-11-18/h6-7,12-13,17-18H,2-5,8-11,14-16H2,1H3,(H,22,24).
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide?
N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 45214844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).