N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C20H26ClN3O2 — CID 120622758

IUPACN-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cccc(Nc3ccccc3)c2)CCNCC1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-25-15-20(10-12-21-13-11-20)19(24)23-18-9-5-8-17(14-18)22-16-6-3-2-4-7-16;/h2-9,14,21-22H,10-13,15H2,1H3,(H,23,24);1H
InChIKeyMMKUJIDALWHFFH-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.81
Rot. Bonds6

About N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120622758) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120622758
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cccc(Nc3ccccc3)c2)CCNCC1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-25-15-20(10-12-21-13-11-20)19(24)23-18-9-5-8-17(14-18)22-16-6-3-2-4-7-16;/h2-9,14,21-22H,10-13,15H2,1H3,(H,23,24);1H
InChIKeyMMKUJIDALWHFFH-UHFFFAOYSA-N
XLogP3.81
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621139
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621286
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120622758) is N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2cccc(Nc3ccccc3)c2)CCNCC1.Cl.
What is the InChIKey of N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is MMKUJIDALWHFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-25-15-20(10-12-21-13-11-20)19(24)23-18-9-5-8-17(14-18)22-16-6-3-2-4-7-16;/h2-9,14,21-22H,10-13,15H2,1H3,(H,23,24);1H.
What are the key properties of N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120622758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).