N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride

C22H27ClN2O3 — CID 171708269

IUPACN-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C2(C(=O)N[C@@]3(c4ccccc4)CCNC[C@H]3O)CC2)cc1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-27-18-9-7-16(8-10-18)21(11-12-21)20(26)24-22(13-14-23-15-19(22)25)17-5-3-2-4-6-17;/h2-10,19,23,25H,11-15H2,1H3,(H,24,26);1H/t19-,22-;/m1./s1
InChIKeyREEXLRPNXFRGEI-JENXBZAWSA-N
MW402.92 g/mol
LogP2.51
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride

N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 171708269) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID171708269
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C2(C(=O)N[C@@]3(c4ccccc4)CCNC[C@H]3O)CC2)cc1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-27-18-9-7-16(8-10-18)21(11-12-21)20(26)24-22(13-14-23-15-19(22)25)17-5-3-2-4-6-17;/h2-10,19,23,25H,11-15H2,1H3,(H,24,26);1H/t19-,22-;/m1./s1
InChIKeyREEXLRPNXFRGEI-JENXBZAWSA-N
XLogP2.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]carbamoyl]benzoate;hydrochloride
CID 171710620
2,3-difluoro-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-6-methoxybenzamide;hydrochloride
CID 171710872
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 171712925
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 62881760
N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 171710361
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 171708881
1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
CID 171708235
(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid
CID 178099809
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
acetic acid;N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 171330415

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 171708269) is N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride is COc1ccc(C2(C(=O)N[C@@]3(c4ccccc4)CCNC[C@H]3O)CC2)cc1.Cl.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is REEXLRPNXFRGEI-JENXBZAWSA-N. The full InChI is InChI=1S/C22H26N2O3.ClH/c1-27-18-9-7-16(8-10-18)21(11-12-21)20(26)24-22(13-14-23-15-19(22)25)17-5-3-2-4-6-17;/h2-10,19,23,25H,11-15H2,1H3,(H,24,26);1H/t19-,22-;/m1./s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 171708269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).