N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C16H23Cl2N3O3 — CID 120624242

IUPACN-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(NC(=O)C2(COC)CCNCC2)ccc1Cl.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-18-14(21)12-9-11(3-4-13(12)17)20-15(22)16(10-23-2)5-7-19-8-6-16;/h3-4,9,19H,5-8,10H2,1-2H3,(H,18,21)(H,20,22);1H
InChIKeyHECPANUMQYRPOC-UHFFFAOYSA-N
MW376.28 g/mol
LogP2.08
Rot. Bonds5

About N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120624242) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120624242
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(NC(=O)C2(COC)CCNCC2)ccc1Cl.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-18-14(21)12-9-11(3-4-13(12)17)20-15(22)16(10-23-2)5-7-19-8-6-16;/h3-4,9,19H,5-8,10H2,1-2H3,(H,18,21)(H,20,22);1H
InChIKeyHECPANUMQYRPOC-UHFFFAOYSA-N
XLogP2.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624220
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635085
N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621053
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645221
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120624242) is N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is CNC(=O)c1cc(NC(=O)C2(COC)CCNCC2)ccc1Cl.Cl.
What is the InChIKey of N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is HECPANUMQYRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-18-14(21)12-9-11(3-4-13(12)17)20-15(22)16(10-23-2)5-7-19-8-6-16;/h3-4,9,19H,5-8,10H2,1-2H3,(H,18,21)(H,20,22);1H.
What are the key properties of N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).