(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide

C21H24N2O2 — CID 25302096

IUPAC(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C21H24N2O2/c1-2-22-21(25)23-12-4-6-16(13-23)20(24)18-11-10-15-9-8-14-5-3-7-17(18)19(14)15/h3,5,7,10-11,16H,2,4,6,8-9,12-13H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyCQSJVNXSIBVIES-INIZCTEOSA-N
MW336.44 g/mol
LogP3.56
Rot. Bonds3

About (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide

(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide (PubChem CID 25302096) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
PubChem CID25302096
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C21H24N2O2/c1-2-22-21(25)23-12-4-6-16(13-23)20(24)18-11-10-15-9-8-14-5-3-7-17(18)19(14)15/h3,5,7,10-11,16H,2,4,6,8-9,12-13H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyCQSJVNXSIBVIES-INIZCTEOSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
4-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 25448612
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42507853
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
N-cyclopropyl-2-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]acetamide
CID 95552342
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 42197160
[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 42453776

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide (CID 25302096) is (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide?
The InChIKey is CQSJVNXSIBVIES-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-22-21(25)23-12-4-6-16(13-23)20(24)18-11-10-15-9-8-14-5-3-7-17(18)19(14)15/h3,5,7,10-11,16H,2,4,6,8-9,12-13H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide?
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 25302096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).