N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide

C20H30N2O3 — CID 155996016

IUPACN-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C20H30N2O3/c23-19(13-15-9-11-21-12-10-15)22-14-16-5-4-8-18(20(16)24)25-17-6-2-1-3-7-17/h1-3,6-7,15-16,18,20-21,24H,4-5,8-14H2,(H,22,23)/t16-,18-,20-/m1/s1
InChIKeyMHFWJYBXSFKPMB-YVWKXTFCSA-N
MW346.47 g/mol
LogP2.10
Rot. Bonds6

About N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide

N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide (PubChem CID 155996016) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide
PubChem CID155996016
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C20H30N2O3/c23-19(13-15-9-11-21-12-10-15)22-14-16-5-4-8-18(20(16)24)25-17-6-2-1-3-7-17/h1-3,6-7,15-16,18,20-21,24H,4-5,8-14H2,(H,22,23)/t16-,18-,20-/m1/s1
InChIKeyMHFWJYBXSFKPMB-YVWKXTFCSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide (CID 155996016) is N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O.
What is the InChIKey of N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide?
The InChIKey is MHFWJYBXSFKPMB-YVWKXTFCSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-19(13-15-9-11-21-12-10-15)22-14-16-5-4-8-18(20(16)24)25-17-6-2-1-3-7-17/h1-3,6-7,15-16,18,20-21,24H,4-5,8-14H2,(H,22,23)/t16-,18-,20-/m1/s1.
What are the key properties of N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide?
N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide has a molecular weight of 346.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 155996016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).