2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide

C20H22N2O2 — CID 167936362

IUPAC2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1
InChIInChI=1S/C20H22N2O2/c21-18(23)12-13-8-10-22(11-9-13)20(24)17-7-6-15-5-4-14-2-1-3-16(17)19(14)15/h1-3,6-7,13H,4-5,8-12H2,(H2,21,23)
InChIKeyJDSKMXLKVVDGRL-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.67
Rot. Bonds3

About 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide

2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide (PubChem CID 167936362) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide
PubChem CID167936362
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1
InChIInChI=1S/C20H22N2O2/c21-18(23)12-13-8-10-22(11-9-13)20(24)17-7-6-15-5-4-14-2-1-3-16(17)19(14)15/h1-3,6-7,13H,4-5,8-12H2,(H2,21,23)
InChIKeyJDSKMXLKVVDGRL-UHFFFAOYSA-N
XLogP2.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 120804153
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842
2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide
CID 120963460
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 107026185
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 60978074
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide (CID 167936362) is 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1.
What is the InChIKey of 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is JDSKMXLKVVDGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-18(23)12-13-8-10-22(11-9-13)20(24)17-7-6-15-5-4-14-2-1-3-16(17)19(14)15/h1-3,6-7,13H,4-5,8-12H2,(H2,21,23).
What are the key properties of 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide?
2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 167936362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).