2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone

C18H29NO — CID 801403

IUPAC2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESO=C(CN1CCCCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C18H29NO/c20-17(13-19-6-2-1-3-7-19)18-10-14-4-5-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2/t14-,15+,16?,18?
InChIKeyYCQLXGYNMQTOGS-SFYZZRBRSA-N
MW275.44 g/mol
LogP3.65
Rot. Bonds3

About 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone

2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (PubChem CID 801403) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
PubChem CID801403
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESO=C(CN1CCCCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C18H29NO/c20-17(13-19-6-2-1-3-7-19)18-10-14-4-5-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2/t14-,15+,16?,18?
InChIKeyYCQLXGYNMQTOGS-SFYZZRBRSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Adamantyl)-1-(1-piperidyl)ethan-2-one
CID 31942
Ketone, 1-adamantyl piperidinomethyl, hydrochloride
CID 31941
2-(4-Methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone
CID 16443377
1-(Tricyclo[4.3.1.1~3,8~]undec-1-ylcarbonyl)piperidine
CID 2850659
2-(Dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2874616
2-Morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2874633
2-Piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2920540
2-(4-Ethylpiperidin-1-yl)-1-[4-methyl-4-(1-methylcyclohexyl)cycloheptyl]ethanone
CID 141804746
piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 760348
2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 876812
2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 876823
2-(dimethylamino)-1-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 2191402

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The IUPAC name of 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (CID 801403) is 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The canonical SMILES for 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is O=C(CN1CCCCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The InChIKey is YCQLXGYNMQTOGS-SFYZZRBRSA-N. The full InChI is InChI=1S/C18H29NO/c20-17(13-19-6-2-1-3-7-19)18-10-14-4-5-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2/t14-,15+,16?,18?.
What are the key properties of 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone has a molecular weight of 275.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is sourced from PubChem (CID 801403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).