1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone

C15H30N4O2 — CID 110108761

IUPAC1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)N2CCC(O)(CN(C)C)C2)CC1
InChIInChI=1S/C15H30N4O2/c1-4-17-7-9-18(10-8-17)11-14(20)19-6-5-15(21,13-19)12-16(2)3/h21H,4-13H2,1-3H3
InChIKeySAFFZYGTNHGCCA-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.85
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone

1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 110108761) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
PubChem CID110108761
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)N2CCC(O)(CN(C)C)C2)CC1
InChIInChI=1S/C15H30N4O2/c1-4-17-7-9-18(10-8-17)11-14(20)19-6-5-15(21,13-19)12-16(2)3/h21H,4-13H2,1-3H3
InChIKeySAFFZYGTNHGCCA-UHFFFAOYSA-N
XLogP-0.85
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124641160
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 125012347
N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124980188
3-cyclohexyl-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 124996744
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 154888181
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 56910649
(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride
CID 154911945
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-5-phenylpentan-1-one
CID 95720649
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 110108763
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 124983809
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 124968832
2-(1,3-benzodioxol-5-yl)-1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]ethanone
CID 56884508

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone (CID 110108761) is 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(CC(=O)N2CCC(O)(CN(C)C)C2)CC1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is SAFFZYGTNHGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-4-17-7-9-18(10-8-17)11-14(20)19-6-5-15(21,13-19)12-16(2)3/h21H,4-13H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone?
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of -0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110108761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).