1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C15H27N3O3 — CID 66053156

IUPAC1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-11(19)17-6-4-5-12(8-17)15(21)18-10-14(20)7-13(18)9-16(2)3/h12-14,20H,4-10H2,1-3H3
InChIKeyASXNNXBNTFWKBU-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.23
Rot. Bonds3

About 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 66053156) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID66053156
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-11(19)17-6-4-5-12(8-17)15(21)18-10-14(20)7-13(18)9-16(2)3/h12-14,20H,4-10H2,1-3H3
InChIKeyASXNNXBNTFWKBU-UHFFFAOYSA-N
XLogP-0.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 66053156) is 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CC(O)CC2CN(C)C)C1.
What is the InChIKey of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ASXNNXBNTFWKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(19)17-6-4-5-12(8-17)15(21)18-10-14(20)7-13(18)9-16(2)3/h12-14,20H,4-10H2,1-3H3.
What are the key properties of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 297.40 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66053156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).