N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C20H31Cl2N3O3 — CID 120624220

IUPACN-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2(COC)CCNCC2)cc1Cl.Cl
InChIInChI=1S/C20H30ClN3O3.ClH/c1-5-19(2,3)24-17(25)15-7-6-14(12-16(15)21)23-18(26)20(13-27-4)8-10-22-11-9-20;/h6-7,12,22H,5,8-11,13H2,1-4H3,(H,23,26)(H,24,25);1H
InChIKeyHTVGDAXINAPNOW-UHFFFAOYSA-N
MW432.39 g/mol
LogP3.63
Rot. Bonds7

About N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120624220) has the molecular formula C20H31Cl2N3O3 and a molecular weight of 432.39 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120624220
Molecular FormulaC20H31Cl2N3O3
Molecular Weight432.39 g/mol
Exact Mass431.17
IUPAC NameN-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2(COC)CCNCC2)cc1Cl.Cl
InChIInChI=1S/C20H30ClN3O3.ClH/c1-5-19(2,3)24-17(25)15-7-6-14(12-16(15)21)23-18(26)20(13-27-4)8-10-22-11-9-20;/h6-7,12,22H,5,8-11,13H2,1-4H3,(H,23,26)(H,24,25);1H
InChIKeyHTVGDAXINAPNOW-UHFFFAOYSA-N
XLogP3.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624242
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645221
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621053
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 119950281
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119740335
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120624220) is N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is CCC(C)(C)NC(=O)c1ccc(NC(=O)C2(COC)CCNCC2)cc1Cl.Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is HTVGDAXINAPNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3.ClH/c1-5-19(2,3)24-17(25)15-7-6-14(12-16(15)21)23-18(26)20(13-27-4)8-10-22-11-9-20;/h6-7,12,22H,5,8-11,13H2,1-4H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 432.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).