N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide

C22H31N3O2 — CID 128947363

IUPACN-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-18(21(26)24-22(17-23)12-6-3-7-13-22)25-14-10-19(11-15-25)16-27-20-8-4-2-5-9-20/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3,(H,24,26)
InChIKeyRPNFREMIVPCMKQ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.51
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide

N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide (PubChem CID 128947363) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide
PubChem CID128947363
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c1-18(21(26)24-22(17-23)12-6-3-7-13-22)25-14-10-19(11-15-25)16-27-20-8-4-2-5-9-20/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3,(H,24,26)
InChIKeyRPNFREMIVPCMKQ-UHFFFAOYSA-N
XLogP3.51
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289685
N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-4-fluorobenzamide
CID 42955044
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-phenoxyphenoxy)acetate
CID 55509116
N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
CID 86972360
N-(1-cyanocyclohexyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]propanamide
CID 55988494
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
N-(1-cyanocyclohexyl)-2,2-diphenylacetamide
CID 78830716
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide (CID 128947363) is N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide is CC(C(=O)NC1(C#N)CCCCC1)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide?
The InChIKey is RPNFREMIVPCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-18(21(26)24-22(17-23)12-6-3-7-13-22)25-14-10-19(11-15-25)16-27-20-8-4-2-5-9-20/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3,(H,24,26).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide?
N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 128947363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).