1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one

C16H28N2O3 — CID 115966230

IUPAC1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C(=O)N2CCC(C(C)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-11(2)15(20)17-7-4-13(5-8-17)16(21)18-9-6-14(10-18)12(3)19/h11-14,19H,4-10H2,1-3H3
InChIKeySGSXTNKIAXCDOJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.11
Rot. Bonds3

About 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 115966230) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID115966230
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C(=O)N2CCC(C(C)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-11(2)15(20)17-7-4-13(5-8-17)16(21)18-9-6-14(10-18)12(3)19/h11-14,19H,4-10H2,1-3H3
InChIKeySGSXTNKIAXCDOJ-UHFFFAOYSA-N
XLogP1.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943843
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
CID 112627314
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one (CID 115966230) is 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C(=O)N2CCC(C(C)O)C2)CC1.
What is the InChIKey of 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is SGSXTNKIAXCDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)15(20)17-7-4-13(5-8-17)16(21)18-9-6-14(10-18)12(3)19/h11-14,19H,4-10H2,1-3H3.
What are the key properties of 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 115966230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).