1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

C22H27N3O3 — CID 120589254

IUPAC1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-22(23,17-8-4-3-5-9-17)21(27)25-14-12-16(13-15-25)20(26)24-18-10-6-7-11-19(18)28-2/h3-11,16H,12-15,23H2,1-2H3,(H,24,26)
InChIKeyWXWHXDFIVUQASR-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 120589254) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID120589254
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-22(23,17-8-4-3-5-9-17)21(27)25-14-12-16(13-15-25)20(26)24-18-10-6-7-11-19(18)28-2/h3-11,16H,12-15,23H2,1-2H3,(H,24,26)
InChIKeyWXWHXDFIVUQASR-UHFFFAOYSA-N
XLogP2.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549472
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 120589254) is 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)C(C)(N)c2ccccc2)CC1.
What is the InChIKey of 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is WXWHXDFIVUQASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(23,17-8-4-3-5-9-17)21(27)25-14-12-16(13-15-25)20(26)24-18-10-6-7-11-19(18)28-2/h3-11,16H,12-15,23H2,1-2H3,(H,24,26).
What are the key properties of 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120589254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).