2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide

C21H29N3O2 — CID 47083560

IUPAC2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H29N3O2/c1-16(26-20-8-6-17(14-22)7-9-20)21(25)23-19-10-12-24(13-11-19)15-18-4-2-3-5-18/h6-9,16,18-19H,2-5,10-13,15H2,1H3,(H,23,25)
InChIKeyYOUCZZHVAAAKIC-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide

2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide (PubChem CID 47083560) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
PubChem CID47083560
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H29N3O2/c1-16(26-20-8-6-17(14-22)7-9-20)21(25)23-19-10-12-24(13-11-19)15-18-4-2-3-5-18/h6-9,16,18-19H,2-5,10-13,15H2,1H3,(H,23,25)
InChIKeyYOUCZZHVAAAKIC-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
(2R)-2-(4-cyanophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 94818114
(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide
CID 94818111
4-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 134020958
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
CID 51222307

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide (CID 47083560) is 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
The InChIKey is YOUCZZHVAAAKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16(26-20-8-6-17(14-22)7-9-20)21(25)23-19-10-12-24(13-11-19)15-18-4-2-3-5-18/h6-9,16,18-19H,2-5,10-13,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide?
2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.10, 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-(cyclopentylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 47083560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).