[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

C23H35N3O2 — CID 29023148

IUPAC[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCN1CCN(C2(C(=O)N3CCC[C@H](COC)C3)Cc3ccccc3C2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-24-11-13-26(14-12-24)23(15-20-8-4-5-9-21(20)16-23)22(27)25-10-6-7-19(17-25)18-28-2/h4-5,8-9,19H,3,6-7,10-18H2,1-2H3/t19-/m0/s1
InChIKeyVJHHAKMCPYXKTD-IBGZPJMESA-N
MW385.55 g/mol
LogP2.05
Rot. Bonds5

About [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 29023148) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID29023148
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCN1CCN(C2(C(=O)N3CCC[C@H](COC)C3)Cc3ccccc3C2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-24-11-13-26(14-12-24)23(15-20-8-4-5-9-21(20)16-23)22(27)25-10-6-7-19(17-25)18-28-2/h4-5,8-9,19H,3,6-7,10-18H2,1-2H3/t19-/m0/s1
InChIKeyVJHHAKMCPYXKTD-IBGZPJMESA-N
XLogP2.05
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106586999
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
(E)-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129414306
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 29023148) is [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is CCN1CCN(C2(C(=O)N3CCC[C@H](COC)C3)Cc3ccccc3C2)CC1.
What is the InChIKey of [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is VJHHAKMCPYXKTD-IBGZPJMESA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-24-11-13-26(14-12-24)23(15-20-8-4-5-9-21(20)16-23)22(27)25-10-6-7-19(17-25)18-28-2/h4-5,8-9,19H,3,6-7,10-18H2,1-2H3/t19-/m0/s1.
What are the key properties of [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 385.55 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 29023148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).