1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide

C23H24N2O3 — CID 95721574

IUPAC1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1
InChIInChI=1S/C23H24N2O3/c24-21(27)23(10-11-23)22(28)25-12-2-4-16(13-25)20(26)18-9-8-15-7-6-14-3-1-5-17(18)19(14)15/h1,3,5,8-9,16H,2,4,6-7,10-13H2,(H2,24,27)/t16-/m0/s1
InChIKeyLUZDXZAPWQROFH-INIZCTEOSA-N
MW376.46 g/mol
LogP2.63
Rot. Bonds4

About 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide

1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 95721574) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID95721574
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1
InChIInChI=1S/C23H24N2O3/c24-21(27)23(10-11-23)22(28)25-12-2-4-16(13-25)20(26)18-9-8-15-7-6-14-3-1-5-17(18)19(14)15/h1,3,5,8-9,16H,2,4,6-7,10-13H2,(H2,24,27)/t16-/m0/s1
InChIKeyLUZDXZAPWQROFH-INIZCTEOSA-N
XLogP2.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
CID 82646222
3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
CID 25449184
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42507853
4-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 25448612
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 42453776
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 42516122
4-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 45172907

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide (CID 95721574) is 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide is NC(=O)C1(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1.
What is the InChIKey of 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is LUZDXZAPWQROFH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N2O3/c24-21(27)23(10-11-23)22(28)25-12-2-4-16(13-25)20(26)18-9-8-15-7-6-14-3-1-5-17(18)19(14)15/h1,3,5,8-9,16H,2,4,6-7,10-13H2,(H2,24,27)/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95721574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).