morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone

C16H25NO2 — CID 98113240

IUPACmorpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESO=C(N1CCOCC1)C12CCC3C[C@@H](C[C@H](C3)C1)C2
InChIInChI=1S/C16H25NO2/c18-15(17-3-5-19-6-4-17)16-2-1-12-7-13(10-16)9-14(8-12)11-16/h12-14H,1-11H2/t12?,13-,14-,16?/m0/s1
InChIKeyCNZMPJKXHVCMIY-WJEHIRDRSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds1

About morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone

morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone (PubChem CID 98113240) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
PubChem CID98113240
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemorpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESO=C(N1CCOCC1)C12CCC3C[C@@H](C[C@H](C3)C1)C2
InChIInChI=1S/C16H25NO2/c18-15(17-3-5-19-6-4-17)16-2-1-12-7-13(10-16)9-14(8-12)11-16/h12-14H,1-11H2/t12?,13-,14-,16?/m0/s1
InChIKeyCNZMPJKXHVCMIY-WJEHIRDRSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
[4-[(3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]piperazin-1-yl]-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98129534
(3-chloro-1-adamantyl)-morpholin-4-ylmethanone
CID 2836077
1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-adamantyl(1,3-oxazinan-3-yl)methanone
CID 110739642
N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
CID 2830735
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
1-adamantyl-[4-(1-aminoethyl)piperidin-1-yl]methanone
CID 63594641
2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone
CID 2874634
(1-hydroxycyclobutyl)-morpholin-4-ylmethanone
CID 130279279
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone?
The IUPAC name of morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone (CID 98113240) is morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone.
What is the SMILES notation for morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone?
The canonical SMILES for morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone is O=C(N1CCOCC1)C12CCC3C[C@@H](C[C@H](C3)C1)C2.
What is the InChIKey of morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone?
The InChIKey is CNZMPJKXHVCMIY-WJEHIRDRSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15(17-3-5-19-6-4-17)16-2-1-12-7-13(10-16)9-14(8-12)11-16/h12-14H,1-11H2/t12?,13-,14-,16?/m0/s1.
What are the key properties of morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone?
morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone has a molecular weight of 263.38 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone is sourced from PubChem (CID 98113240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).