N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride

C22H28ClN3O3 — CID 119420626

IUPACN-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-28-18-8-9-19(23)20(15-18)24-22(27)17-11-13-25(14-12-17)21(26)10-7-16-5-3-2-4-6-16;/h2-6,8-9,15,17H,7,10-14,23H2,1H3,(H,24,27);1H
InChIKeyNGUSRTNKLMAZGQ-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.51
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119420626) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119420626
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-28-18-8-9-19(23)20(15-18)24-22(27)17-11-13-25(14-12-17)21(26)10-7-16-5-3-2-4-6-16;/h2-6,8-9,15,17H,7,10-14,23H2,1H3,(H,24,27);1H
InChIKeyNGUSRTNKLMAZGQ-UHFFFAOYSA-N
XLogP3.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 119514987
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride (CID 119420626) is N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NGUSRTNKLMAZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-28-18-8-9-19(23)20(15-18)24-22(27)17-11-13-25(14-12-17)21(26)10-7-16-5-3-2-4-6-16;/h2-6,8-9,15,17H,7,10-14,23H2,1H3,(H,24,27);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119420626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).