ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate

C23H26N2O4 — CID 45212076

IUPACethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C23H26N2O4/c1-2-29-20(26)13-24-23(28)25-12-4-6-17(14-25)22(27)19-11-10-16-9-8-15-5-3-7-18(19)21(15)16/h3,5,7,10-11,17H,2,4,6,8-9,12-14H2,1H3,(H,24,28)
InChIKeyUQLRHWMJLYXLMQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.11
Rot. Bonds5

About ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate (PubChem CID 45212076) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
PubChem CID45212076
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C23H26N2O4/c1-2-29-20(26)13-24-23(28)25-12-4-6-17(14-25)22(27)19-11-10-16-9-8-15-5-3-7-18(19)21(15)16/h3,5,7,10-11,17H,2,4,6,8-9,12-14H2,1H3,(H,24,28)
InChIKeyUQLRHWMJLYXLMQ-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
ethyl 2-[[3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 45172649
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 42197160
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 23723203
1-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 45172362
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 42516122
3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
CID 25449184
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate (CID 45212076) is ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is UQLRHWMJLYXLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-29-20(26)13-24-23(28)25-12-4-6-17(14-25)22(27)19-11-10-16-9-8-15-5-3-7-18(19)21(15)16/h3,5,7,10-11,17H,2,4,6,8-9,12-14H2,1H3,(H,24,28).
What are the key properties of ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 394.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 45212076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).