3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide

C21H30N2O4 — CID 157017816

IUPAC3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccc(O)cc1)N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O
InChIInChI=1S/C21H30N2O4/c24-17-8-4-15(5-9-17)6-11-20(26)22-18-14-16(7-10-19(18)25)21(27)23-12-2-1-3-13-23/h4-5,8-9,16,18-19,24-25H,1-3,6-7,10-14H2,(H,22,26)/t16-,18+,19+/m0/s1
InChIKeyYGBIBGSALHIAQW-QXAKKESOSA-N
MW374.48 g/mol
LogP1.98
Rot. Bonds5

About 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide

3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide (PubChem CID 157017816) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide
PubChem CID157017816
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccc(O)cc1)N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O
InChIInChI=1S/C21H30N2O4/c24-17-8-4-15(5-9-17)6-11-20(26)22-18-14-16(7-10-19(18)25)21(27)23-12-2-1-3-13-23/h4-5,8-9,16,18-19,24-25H,1-3,6-7,10-14H2,(H,22,26)/t16-,18+,19+/m0/s1
InChIKeyYGBIBGSALHIAQW-QXAKKESOSA-N
XLogP1.98
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
N-(2-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetamide
CID 62361084
3-phenyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]propanamide
CID 146069709
formic acid;N-[(1R,2R,5S)-2-hydroxy-5-(pyrrolidine-1-carbonyl)cyclohexyl]-4-methylsulfonylbenzamide
CID 163340697
N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
CID 104957512
3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide
CID 86791471
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 66549468
N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide
CID 24737912
3-cyclohexyl-1-[4-[3-(4-hydroxyphenyl)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 134708657
3-(1,3-benzodioxol-5-yl)-N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclopentyl]propanamide
CID 56893110
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide (CID 157017816) is 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide is O=C(CCc1ccc(O)cc1)N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide?
The InChIKey is YGBIBGSALHIAQW-QXAKKESOSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-17-8-4-15(5-9-17)6-11-20(26)22-18-14-16(7-10-19(18)25)21(27)23-12-2-1-3-13-23/h4-5,8-9,16,18-19,24-25H,1-3,6-7,10-14H2,(H,22,26)/t16-,18+,19+/m0/s1.
What are the key properties of 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide?
3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide has a molecular weight of 374.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[(1R,2R,5S)-2-hydroxy-5-(piperidine-1-carbonyl)cyclohexyl]propanamide is sourced from PubChem (CID 157017816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).