2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C20H32N2O — CID 119999448

IUPAC2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C20H32N2O/c23-20(19-16-9-13-8-14(11-16)12-17(19)10-13)22-6-3-15(4-7-22)18-2-1-5-21-18/h13-19,21H,1-12H2
InChIKeyFSNJAGLGJDUDDI-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.05
Rot. Bonds2

About 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 119999448) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID119999448
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C20H32N2O/c23-20(19-16-9-13-8-14(11-16)12-17(19)10-13)22-6-3-15(4-7-22)18-2-1-5-21-18/h13-19,21H,1-12H2
InChIKeyFSNJAGLGJDUDDI-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153
(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477511
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 63259596
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119999589
(E)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 63259333
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562542
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
1-(4-pyrrolidin-2-ylpiperidin-1-yl)pent-4-en-1-one
CID 63259498
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999275
1-[4-(adamantane-2-carbonyl)piperazin-1-yl]ethanone
CID 4786894
2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71683274

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 119999448) is 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(C1C2CC3CC(C2)CC1C3)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is FSNJAGLGJDUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c23-20(19-16-9-13-8-14(11-16)12-17(19)10-13)22-6-3-15(4-7-22)18-2-1-5-21-18/h13-19,21H,1-12H2.
What are the key properties of 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 316.49 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 119999448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).