2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide

C18H30N2O — CID 131898207

IUPAC2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide
SMILESCCC#CCN1CCC(CNC(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-3-6-11-20-12-9-17(10-13-20)15-19-18(21)14-16-7-4-5-8-16/h16-17H,2,4-5,7-15H2,1H3,(H,19,21)
InChIKeyJITUOUITSJZZEK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.81
Rot. Bonds5

About 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide

2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide (PubChem CID 131898207) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide
PubChem CID131898207
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide
SMILESCCC#CCN1CCC(CNC(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-3-6-11-20-12-9-17(10-13-20)15-19-18(21)14-16-7-4-5-8-16/h16-17H,2,4-5,7-15H2,1H3,(H,19,21)
InChIKeyJITUOUITSJZZEK-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
CID 131929470
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 79610800
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide;formic acid
CID 154913506
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
CID 164637885
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide (CID 131898207) is 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide is CCC#CCN1CCC(CNC(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide?
The InChIKey is JITUOUITSJZZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-6-11-20-12-9-17(10-13-20)15-19-18(21)14-16-7-4-5-8-16/h16-17H,2,4-5,7-15H2,1H3,(H,19,21).
What are the key properties of 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide?
2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide has a molecular weight of 290.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 131898207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).