2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C21H29N3O2 — CID 2426774

IUPAC2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H29N3O2/c22-15-18-7-9-19(10-8-18)26-16-20(25)23-17-21(11-3-1-4-12-21)24-13-5-2-6-14-24/h7-10H,1-6,11-14,16-17H2,(H,23,25)
InChIKeyBXKKCSMTTGFIFT-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2426774) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID2426774
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H29N3O2/c22-15-18-7-9-19(10-8-18)26-16-20(25)23-17-21(11-3-1-4-12-21)24-13-5-2-6-14-24/h7-10H,1-6,11-14,16-17H2,(H,23,25)
InChIKeyBXKKCSMTTGFIFT-UHFFFAOYSA-N
XLogP3.24
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2579923
2-(4-cyanophenoxy)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 17437937
1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 38281830
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55739550
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 47056038
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 7824799
2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217343
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 2426774) is 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is N#Cc1ccc(OCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is BXKKCSMTTGFIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c22-15-18-7-9-19(10-8-18)26-16-20(25)23-17-21(11-3-1-4-12-21)24-13-5-2-6-14-24/h7-10H,1-6,11-14,16-17H2,(H,23,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2426774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).