4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride

C17H27ClN2O3 — CID 119752834

IUPAC4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(OC(C)(C)C)cc2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-16(2,3)22-14-7-5-13(6-8-14)19-15(20)17(21-4)9-11-18-12-10-17;/h5-8,18H,9-12H2,1-4H3,(H,19,20);1H
InChIKeyUOSRHMMNQLGZQR-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.99
Rot. Bonds4

About 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119752834) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119752834
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(OC(C)(C)C)cc2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-16(2,3)22-14-7-5-13(6-8-14)19-15(20)17(21-4)9-11-18-12-10-17;/h5-8,18H,9-12H2,1-4H3,(H,19,20);1H
InChIKeyUOSRHMMNQLGZQR-UHFFFAOYSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
CID 119784210

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride (CID 119752834) is 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc(OC(C)(C)C)cc2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is UOSRHMMNQLGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-16(2,3)22-14-7-5-13(6-8-14)19-15(20)17(21-4)9-11-18-12-10-17;/h5-8,18H,9-12H2,1-4H3,(H,19,20);1H.
What are the key properties of 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119752834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).