2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C16H31ClN2O — CID 119557821

IUPAC2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCCCC1)NCCC1CCCNC1
InChIInChI=1S/C16H30N2O.ClH/c19-16(12-14-6-3-1-2-4-7-14)18-11-9-15-8-5-10-17-13-15;/h14-15,17H,1-13H2,(H,18,19);1H
InChIKeyVFXZQYWHGTZWIV-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.27
Rot. Bonds5

About 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119557821) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119557821
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCCCC1)NCCC1CCCNC1
InChIInChI=1S/C16H30N2O.ClH/c19-16(12-14-6-3-1-2-4-7-14)18-11-9-15-8-5-10-17-13-15;/h14-15,17H,1-13H2,(H,18,19);1H
InChIKeyVFXZQYWHGTZWIV-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
CID 119534347
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119557821) is 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(CC1CCCCCC1)NCCC1CCCNC1.
What is the InChIKey of 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is VFXZQYWHGTZWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c19-16(12-14-6-3-1-2-4-7-14)18-11-9-15-8-5-10-17-13-15;/h14-15,17H,1-13H2,(H,18,19);1H.
What are the key properties of 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119557821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).