1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

C25H29N3O — CID 45190197

IUPAC1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCCn1cc(CN2CCCC(C(=O)c3ccc4c5c(cccc35)CC4)C2)c(C)n1
InChIInChI=1S/C25H29N3O/c1-3-28-16-21(17(2)26-28)15-27-13-5-7-20(14-27)25(29)23-12-11-19-10-9-18-6-4-8-22(23)24(18)19/h4,6,8,11-12,16,20H,3,5,7,9-10,13-15H2,1-2H3
InChIKeyBYDXKZTZWZRTCR-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.56
Rot. Bonds5

About 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45190197) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
PubChem CID45190197
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCCn1cc(CN2CCCC(C(=O)c3ccc4c5c(cccc35)CC4)C2)c(C)n1
InChIInChI=1S/C25H29N3O/c1-3-28-16-21(17(2)26-28)15-27-13-5-7-20(14-27)25(29)23-12-11-19-10-9-18-6-4-8-22(23)24(18)19/h4,6,8,11-12,16,20H,3,5,7,9-10,13-15H2,1-2H3
InChIKeyBYDXKZTZWZRTCR-UHFFFAOYSA-N
XLogP4.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone
CID 25279419
6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95556226
N-cyclopropyl-2-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]acetamide
CID 95552342
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
1-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 45172362
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
4-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 25448612
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
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

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (CID 45190197) is 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is CCn1cc(CN2CCCC(C(=O)c3ccc4c5c(cccc35)CC4)C2)c(C)n1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is BYDXKZTZWZRTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-3-28-16-21(17(2)26-28)15-27-13-5-7-20(14-27)25(29)23-12-11-19-10-9-18-6-4-8-22(23)24(18)19/h4,6,8,11-12,16,20H,3,5,7,9-10,13-15H2,1-2H3.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 387.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45190197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).