N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C17H26ClN3O4 — CID 120621053

IUPACN-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CCNCC1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-12(21)19-14-5-4-13(10-15(14)24-3)20-16(22)17(11-23-2)6-8-18-9-7-17;/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyZWKIGXJRUVFYBX-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.03
Rot. Bonds6

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

N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120621053) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120621053
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CCNCC1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-12(21)19-14-5-4-13(10-15(14)24-3)20-16(22)17(11-23-2)6-8-18-9-7-17;/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyZWKIGXJRUVFYBX-UHFFFAOYSA-N
XLogP2.03
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624242
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619844
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120621053) is N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CCNCC1.Cl.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZWKIGXJRUVFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.ClH/c1-12(21)19-14-5-4-13(10-15(14)24-3)20-16(22)17(11-23-2)6-8-18-9-7-17;/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).