N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride

C21H27ClN2O3 — CID 171712925

IUPACN-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccccc1CCC(=O)N[C@]1(c2ccccc2)CCNC[C@H]1O.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-26-18-10-6-5-7-16(18)11-12-20(25)23-21(13-14-22-15-19(21)24)17-8-3-2-4-9-17;/h2-10,19,22,24H,11-15H2,1H3,(H,23,25);1H/t19-,21+;/m1./s1
InChIKeyIKZDYZIMVKGKNH-DGXMUYMBSA-N
MW390.91 g/mol
LogP2.42
Rot. Bonds6

About N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride

N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride (PubChem CID 171712925) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride
PubChem CID171712925
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccccc1CCC(=O)N[C@]1(c2ccccc2)CCNC[C@H]1O.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-26-18-10-6-5-7-16(18)11-12-20(25)23-21(13-14-22-15-19(21)24)17-8-3-2-4-9-17;/h2-10,19,22,24H,11-15H2,1H3,(H,23,25);1H/t19-,21+;/m1./s1
InChIKeyIKZDYZIMVKGKNH-DGXMUYMBSA-N
XLogP2.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methylpyrazol-3-yl)propanamide
CID 171710618
2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride
CID 171710872
methyl 2-[[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]carbamoyl]benzoate;hydrochloride
CID 171710620
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
CID 171708235
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 112533582
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 43360411

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride (CID 171712925) is N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride is COc1ccccc1CCC(=O)N[C@]1(c2ccccc2)CCNC[C@H]1O.Cl.
What is the InChIKey of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is IKZDYZIMVKGKNH-DGXMUYMBSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-26-18-10-6-5-7-16(18)11-12-20(25)23-21(13-14-22-15-19(21)24)17-8-3-2-4-9-17;/h2-10,19,22,24H,11-15H2,1H3,(H,23,25);1H/t19-,21+;/m1./s1.
What are the key properties of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride?
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 171712925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).