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

C17H27NO — CID 760348

IUPACpiperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESO=C(N1CCCCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C17H27NO/c19-16(18-6-2-1-3-7-18)17-10-13-4-5-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2/t13-,14+,15?,17?
InChIKeyZHSNSBSBYQJEND-KWOWKCNFSA-N
MW261.41 g/mol
LogP3.61
Rot. Bonds1

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

piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone (PubChem CID 760348) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
PubChem CID760348
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Namepiperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESO=C(N1CCCCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C17H27NO/c19-16(18-6-2-1-3-7-18)17-10-13-4-5-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2/t13-,14+,15?,17?
InChIKeyZHSNSBSBYQJEND-KWOWKCNFSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The IUPAC name of piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone (CID 760348) is piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone.
What is the SMILES notation for piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The canonical SMILES for piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone is O=C(N1CCCCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The InChIKey is ZHSNSBSBYQJEND-KWOWKCNFSA-N. The full InChI is InChI=1S/C17H27NO/c19-16(18-6-2-1-3-7-18)17-10-13-4-5-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2/t13-,14+,15?,17?.
What are the key properties of piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone has a molecular weight of 261.41 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone is sourced from PubChem (CID 760348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).