2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide

C18H34N2O — CID 106625612

IUPAC2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCN1)C(=O)CC1CCCCCC1
InChIInChI=1S/C18H34N2O/c1-2-13-20(15-17-11-7-8-12-19-17)18(21)14-16-9-5-3-4-6-10-16/h16-17,19H,2-15H2,1H3
InChIKeyDXUQYTPTHMLKGF-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.73
Rot. Bonds6

About 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide

2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide (PubChem CID 106625612) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
PubChem CID106625612
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCN1)C(=O)CC1CCCCCC1
InChIInChI=1S/C18H34N2O/c1-2-13-20(15-17-11-7-8-12-19-17)18(21)14-16-9-5-3-4-6-10-16/h16-17,19H,2-15H2,1H3
InChIKeyDXUQYTPTHMLKGF-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609305
2-cyclohexyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612848
2-cycloheptyl-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608336
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
2,2-difluoro-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625526
N-(piperidin-2-ylmethyl)-N-propylbicyclo[3.1.0]hexane-3-carboxamide
CID 106625572
1-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrrolidine-3-carboxamide
CID 106625670
2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625638
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide (CID 106625612) is 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide is CCCN(CC1CCCCN1)C(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The InChIKey is DXUQYTPTHMLKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-13-20(15-17-11-7-8-12-19-17)18(21)14-16-9-5-3-4-6-10-16/h16-17,19H,2-15H2,1H3.
What are the key properties of 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide has a molecular weight of 294.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 106625612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).