(3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone

C17H30N2O2 — CID 131902398

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone
SMILESCC1(O)CCCN(C(=O)C2(N3CCCC3)CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-16(21)8-7-11-18(14-16)15(20)17(9-3-2-4-10-17)19-12-5-6-13-19/h21H,2-14H2,1H3
InChIKeyDZSYHNHMZFMDDA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.16
Rot. Bonds2

About (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone

(3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone (PubChem CID 131902398) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone
PubChem CID131902398
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone
SMILESCC1(O)CCCN(C(=O)C2(N3CCCC3)CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-16(21)8-7-11-18(14-16)15(20)17(9-3-2-4-10-17)19-12-5-6-13-19/h21H,2-14H2,1H3
InChIKeyDZSYHNHMZFMDDA-UHFFFAOYSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3S)-3-ethyl-3-hydroxypiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 125519686
{(2S,4R)-4-(dimethylamino)-1-[(1-piperidin-1-ylcyclohexyl)carbonyl]pyrrolidin-2-yl}methanol
CID 50979944
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[(1-morpholin-4-ylcyclohexyl)carbonyl]pyrrolidin-3-ol
CID 70788007
N-[1-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]cyclohexyl]acetamide
CID 72043628
(1-Aminocyclohexyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355813
(3-Hydroxy-3-methylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975843
[3-[(Dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
CID 110108789
2-[4-[(1-Hydroxycyclohexyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 112137893
(1-Aminocyclohexyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 116424520
1-[2-(3-Ethyl-3-hydroxypiperidin-1-YL)-2-oxoethyl]pyrrolidin-2-one
CID 124209406
{1-[(1-Piperidin-1-ylcyclohexyl)carbonyl]pyrrolidin-3-yl}methanol
CID 124216045
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[(2R)-1,2-dimethylpiperidin-2-yl]methanone
CID 125017542

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone (CID 131902398) is (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone is CC1(O)CCCN(C(=O)C2(N3CCCC3)CCCCC2)C1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone?
The InChIKey is DZSYHNHMZFMDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(21)8-7-11-18(14-16)15(20)17(9-3-2-4-10-17)19-12-5-6-13-19/h21H,2-14H2,1H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone?
(3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone has a molecular weight of 294.44 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclohexyl)methanone is sourced from PubChem (CID 131902398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).