2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

C24H29N3O2 — CID 46597383

IUPAC2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCN(Cc2ccc(CNC(=O)C(C)Oc3ccccc3C#N)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-18-11-13-27(14-12-18)17-21-9-7-20(8-10-21)16-26-24(28)19(2)29-23-6-4-3-5-22(23)15-25/h3-10,18-19H,11-14,16-17H2,1-2H3,(H,26,28)
InChIKeyKCPDLXMSOQYTOV-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.87
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 46597383) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID46597383
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCN(Cc2ccc(CNC(=O)C(C)Oc3ccccc3C#N)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-18-11-13-27(14-12-18)17-21-9-7-20(8-10-21)16-26-24(28)19(2)29-23-6-4-3-5-22(23)15-25/h3-10,18-19H,11-14,16-17H2,1-2H3,(H,26,28)
InChIKeyKCPDLXMSOQYTOV-UHFFFAOYSA-N
XLogP3.87
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767407
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 46597383) is 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC1CCN(Cc2ccc(CNC(=O)C(C)Oc3ccccc3C#N)cc2)CC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is KCPDLXMSOQYTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-11-13-27(14-12-18)17-21-9-7-20(8-10-21)16-26-24(28)19(2)29-23-6-4-3-5-22(23)15-25/h3-10,18-19H,11-14,16-17H2,1-2H3,(H,26,28).
What are the key properties of 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 46597383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).