(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C16H29N3O2 — CID 114678294

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2C2CCNCC2)CCC1O
InChIInChI=1S/C16H29N3O2/c1-12-11-18(10-6-15(12)20)16(21)14-3-2-9-19(14)13-4-7-17-8-5-13/h12-15,17,20H,2-11H2,1H3
InChIKeyFNODBDFPBDYRNZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.43
Rot. Bonds2

About (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 114678294) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID114678294
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2C2CCNCC2)CCC1O
InChIInChI=1S/C16H29N3O2/c1-12-11-18(10-6-15(12)20)16(21)14-3-2-9-19(14)13-4-7-17-8-5-13/h12-15,17,20H,2-11H2,1H3
InChIKeyFNODBDFPBDYRNZ-UHFFFAOYSA-N
XLogP0.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 115965183
(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
(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020224
[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65085268
azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 129380965
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 114678294) is (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is CC1CN(C(=O)C2CCCN2C2CCNCC2)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is FNODBDFPBDYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12-11-18(10-6-15(12)20)16(21)14-3-2-9-19(14)13-4-7-17-8-5-13/h12-15,17,20H,2-11H2,1H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 114678294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).