2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

C18H29N3O2 — CID 95603265

IUPAC2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)COC2CCCCC2)c1
InChIInChI=1S/C18H29N3O2/c1-15-11-19-20(12-15)13-16-7-5-6-10-21(16)18(22)14-23-17-8-3-2-4-9-17/h11-12,16-17H,2-10,13-14H2,1H3/t16-/m0/s1
InChIKeyYDHYUAXDWQFVHC-INIZCTEOSA-N
MW319.45 g/mol
LogP2.92
Rot. Bonds5

About 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95603265) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95603265
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)COC2CCCCC2)c1
InChIInChI=1S/C18H29N3O2/c1-15-11-19-20(12-15)13-16-7-5-6-10-21(16)18(22)14-23-17-8-3-2-4-9-17/h11-12,16-17H,2-10,13-14H2,1H3/t16-/m0/s1
InChIKeyYDHYUAXDWQFVHC-INIZCTEOSA-N
XLogP2.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 95603265) is 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1cnn(C[C@@H]2CCCCN2C(=O)COC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is YDHYUAXDWQFVHC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15-11-19-20(12-15)13-16-7-5-6-10-21(16)18(22)14-23-17-8-3-2-4-9-17/h11-12,16-17H,2-10,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 319.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95603265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).