N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride

C20H29ClN4O3 — CID 154897322

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
SMILESCOCC(NC(=O)C1(Oc2ccc(C)cc2)CCNCC1)c1ccnn1C.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-15-4-6-16(7-5-15)27-20(9-12-21-13-10-20)19(25)23-17(14-26-3)18-8-11-22-24(18)2;/h4-8,11,17,21H,9-10,12-14H2,1-3H3,(H,23,25);1H
InChIKeyCVWNGLJDERDDNI-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.16
Rot. Bonds7

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride (PubChem CID 154897322) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
PubChem CID154897322
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
SMILESCOCC(NC(=O)C1(Oc2ccc(C)cc2)CCNCC1)c1ccnn1C.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-15-4-6-16(7-5-15)27-20(9-12-21-13-10-20)19(25)23-17(14-26-3)18-8-11-22-24(18)2;/h4-8,11,17,21H,9-10,12-14H2,1-3H3,(H,23,25);1H
InChIKeyCVWNGLJDERDDNI-UHFFFAOYSA-N
XLogP2.16
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 95127349
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
CID 154924458
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91760742
4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide
CID 50972805
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 70757967
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 154897274
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 126451107
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 46999983
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70766147

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride (CID 154897322) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride is COCC(NC(=O)C1(Oc2ccc(C)cc2)CCNCC1)c1ccnn1C.Cl.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
The InChIKey is CVWNGLJDERDDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.ClH/c1-15-4-6-16(7-5-15)27-20(9-12-21-13-10-20)19(25)23-17(14-26-3)18-8-11-22-24(18)2;/h4-8,11,17,21H,9-10,12-14H2,1-3H3,(H,23,25);1H.
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 154897322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).