[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C16H29N3O2 — CID 115965183

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCCN2C2CCNCC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(20)13-6-10-18(11-13)16(21)15-3-2-9-19(15)14-4-7-17-8-5-14/h12-15,17,20H,2-11H2,1H3
InChIKeyYAPBWKZEKZPDBT-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.43
Rot. Bonds3

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 115965183) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID115965183
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCCN2C2CCNCC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(20)13-6-10-18(11-13)16(21)15-3-2-9-19(15)14-4-7-17-8-5-14/h12-15,17,20H,2-11H2,1H3
InChIKeyYAPBWKZEKZPDBT-UHFFFAOYSA-N
XLogP0.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61019778
2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604814
[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201689
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 115965184
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol
CID 129494886

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 115965183) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is CC(O)C1CCN(C(=O)C2CCCN2C2CCNCC2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is YAPBWKZEKZPDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(20)13-6-10-18(11-13)16(21)15-3-2-9-19(15)14-4-7-17-8-5-14/h12-15,17,20H,2-11H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 115965183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).