1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

C25H33N3O3 — CID 43923335

IUPAC1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-4-31-21-9-7-8-19(16-21)17-28-14-12-20(13-15-28)24(29)27-23-11-6-5-10-22(23)25(30)26-18(2)3/h5-11,16,18,20H,4,12-15,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyVFQWKKSEPRVKSV-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.07
Rot. Bonds8

About 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43923335) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43923335
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-4-31-21-9-7-8-19(16-21)17-28-14-12-20(13-15-28)24(29)27-23-11-6-5-10-22(23)25(30)26-18(2)3/h5-11,16,18,20H,4,12-15,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyVFQWKKSEPRVKSV-UHFFFAOYSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide 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

1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 43924414
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923575
N-(3-chloro-4-methylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921689
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43923580
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 43923221
1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38098399
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848162

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 43923335) is 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide is CCOc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is VFQWKKSEPRVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-31-21-9-7-8-19(16-21)17-28-14-12-20(13-15-28)24(29)27-23-11-6-5-10-22(23)25(30)26-18(2)3/h5-11,16,18,20H,4,12-15,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43923335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).