N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride

C16H25ClN2O3 — CID 119944199

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C2(C)CCCNC2)ccc1O.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-16(7-4-8-17-11-16)15(20)18(2)10-12-5-6-13(19)14(9-12)21-3;/h5-6,9,17,19H,4,7-8,10-11H2,1-3H3;1H
InChIKeySHGDPESWHCVGNM-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.17
Rot. Bonds4

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride

N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119944199) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
PubChem CID119944199
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C2(C)CCCNC2)ccc1O.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-16(7-4-8-17-11-16)15(20)18(2)10-12-5-6-13(19)14(9-12)21-3;/h5-6,9,17,19H,4,7-8,10-11H2,1-3H3;1H
InChIKeySHGDPESWHCVGNM-UHFFFAOYSA-N
XLogP2.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119705016
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115448155
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (CID 119944199) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride is COc1cc(CN(C)C(=O)C2(C)CCCNC2)ccc1O.Cl.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is SHGDPESWHCVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-16(7-4-8-17-11-16)15(20)18(2)10-12-5-6-13(19)14(9-12)21-3;/h5-6,9,17,19H,4,7-8,10-11H2,1-3H3;1H.
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).