N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C22H28ClN3O3 — CID 120624537

IUPACN-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CCNCC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-16-18(24-20(26)17-7-4-3-5-8-17)9-6-10-19(16)25-21(27)22(15-28-2)11-13-23-14-12-22;/h3-10,23H,11-15H2,1-2H3,(H,24,26)(H,25,27);1H
InChIKeySFPWFLTUYRTFMQ-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.62
Rot. Bonds6

About N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120624537) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120624537
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CCNCC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-16-18(24-20(26)17-7-4-3-5-8-17)9-6-10-19(16)25-21(27)22(15-28-2)11-13-23-14-12-22;/h3-10,23H,11-15H2,1-2H3,(H,24,26)(H,25,27);1H
InChIKeySFPWFLTUYRTFMQ-UHFFFAOYSA-N
XLogP3.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 120630106
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120624537) is N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CCNCC1.Cl.
What is the InChIKey of N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SFPWFLTUYRTFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-16-18(24-20(26)17-7-4-3-5-8-17)9-6-10-19(16)25-21(27)22(15-28-2)11-13-23-14-12-22;/h3-10,23H,11-15H2,1-2H3,(H,24,26)(H,25,27);1H.
What are the key properties of N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).