N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide

C20H30N2O3 — CID 46215196

IUPACN-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2ccc(O)cc2O)CC1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-14(15-5-3-2-4-6-15)21-20(25)22-11-9-16(10-12-22)18-8-7-17(23)13-19(18)24/h7-8,13-16,23-24H,2-6,9-12H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyWOTYJFNOZIBMGS-AWEZNQCLSA-N
MW346.47 g/mol
LogP3.96
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide

N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide (PubChem CID 46215196) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide
PubChem CID46215196
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2ccc(O)cc2O)CC1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-14(15-5-3-2-4-6-15)21-20(25)22-11-9-16(10-12-22)18-8-7-17(23)13-19(18)24/h7-8,13-16,23-24H,2-6,9-12H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyWOTYJFNOZIBMGS-AWEZNQCLSA-N
XLogP3.96
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexylethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111507122
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 46215195
N-[(1S)-1-cyclohexylethyl]-4-[4-[(2-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]piperidine-1-carboxamide
CID 171673722
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 46241195
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888
N-(1-cyclohexylethyl)-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 122565554
4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 46214870
1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
CID 67423273
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide (CID 46215196) is N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC(c2ccc(O)cc2O)CC1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide?
The InChIKey is WOTYJFNOZIBMGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(15-5-3-2-4-6-15)21-20(25)22-11-9-16(10-12-22)18-8-7-17(23)13-19(18)24/h7-8,13-16,23-24H,2-6,9-12H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide?
N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46215196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).