3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide

C22H34N2O3 — CID 108549550

IUPAC3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-15(2)14-21(25)23-19-10-12-24(13-11-19)22(26)17(5)27-20-8-6-18(7-9-20)16(3)4/h6-9,15-17,19H,10-14H2,1-5H3,(H,23,25)
InChIKeyWOKCLGRHFOIEKD-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.73
Rot. Bonds7

About 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide

3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide (PubChem CID 108549550) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
PubChem CID108549550
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-15(2)14-21(25)23-19-10-12-24(13-11-19)22(26)17(5)27-20-8-6-18(7-9-20)16(3)4/h6-9,15-17,19H,10-14H2,1-5H3,(H,23,25)
InChIKeyWOKCLGRHFOIEKD-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide 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

3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108556193
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide (CID 108549550) is 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide is CC(C)CC(=O)NC1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
The InChIKey is WOKCLGRHFOIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15(2)14-21(25)23-19-10-12-24(13-11-19)22(26)17(5)27-20-8-6-18(7-9-20)16(3)4/h6-9,15-17,19H,10-14H2,1-5H3,(H,23,25).
What are the key properties of 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide has a molecular weight of 374.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108549550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).