4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride

C21H26ClN3O3 — CID 119714272

IUPAC4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)CCNCC1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-24(18-9-4-3-5-10-18)19(25)16-7-6-8-17(15-16)23-20(26)21(27-2)11-13-22-14-12-21;/h3-10,15,22H,11-14H2,1-2H3,(H,23,26);1H
InChIKeyHNAOMRIKCHVZGG-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.09
Rot. Bonds5

About 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119714272) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119714272
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)CCNCC1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-24(18-9-4-3-5-10-18)19(25)16-7-6-8-17(15-16)23-20(26)21(27-2)11-13-22-14-12-21;/h3-10,15,22H,11-14H2,1-2H3,(H,23,26);1H
InChIKeyHNAOMRIKCHVZGG-UHFFFAOYSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870520
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
N-(6-benzamido-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119893893
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119761237
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119870640

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride (CID 119714272) is 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HNAOMRIKCHVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-24(18-9-4-3-5-10-18)19(25)16-7-6-8-17(15-16)23-20(26)21(27-2)11-13-22-14-12-21;/h3-10,15,22H,11-14H2,1-2H3,(H,23,26);1H.
What are the key properties of 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119714272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).