N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide

C24H35N3O5 — CID 166100538

IUPACN',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide
SMILESCN(C)C(=O)C(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2OCC=O)CC1
InChIInChI=1S/C24H35N3O5/c1-27(2)24(30)23(29)26-20-7-5-13-25-21(20)16-32-18-11-9-17(10-12-18)19-6-3-4-8-22(19)31-15-14-28/h3-4,6,8,14,17-18,20-21,25H,5,7,9-13,15-16H2,1-2H3,(H,26,29)/t17?,18?,20-,21-/m0/s1
InChIKeyIFEUDFPYOURKPC-RQWVFBBXSA-N
MW445.56 g/mol
LogP1.63
Rot. Bonds8

About N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide

N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide (PubChem CID 166100538) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide
PubChem CID166100538
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC NameN',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide
SMILESCN(C)C(=O)C(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2OCC=O)CC1
InChIInChI=1S/C24H35N3O5/c1-27(2)24(30)23(29)26-20-7-5-13-25-21(20)16-32-18-11-9-17(10-12-18)19-6-3-4-8-22(19)31-15-14-28/h3-4,6,8,14,17-18,20-21,25H,5,7,9-13,15-16H2,1-2H3,(H,26,29)/t17?,18?,20-,21-/m0/s1
InChIKeyIFEUDFPYOURKPC-RQWVFBBXSA-N
XLogP1.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]propane-2-sulfonamide
CID 167117529
(2S)-4-methyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]morpholine-2-carboxamide
CID 177003816
(3R)-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxane-3-carboxamide
CID 166100557
(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid
CID 156687869
N-[(2R,3S)-2-[[4-(2-ethoxyphenyl)cyclohexyl]oxymethyl]azepan-3-yl]methanesulfonamide
CID 167278743
ethyl (2R)-2-[2-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoate
CID 175829005
2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid
CID 170605373
N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide
CID 164553270
N-[(2R,3S)-2-[[4-(2-propan-2-yloxyphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 156747246
N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 167117772
N-[(2R,3S)-2-[[4-[2-methyl-6-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]pyrrolidin-3-yl]cyclopropanesulfonamide
CID 167117569
N-[(2R,3S)-2-[[4-[7-(2-oxoethoxy)imidazo[1,2-a]pyrimidin-6-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 166146038

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide?
The IUPAC name of N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide (CID 166100538) is N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide.
What is the SMILES notation for N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide?
The canonical SMILES for N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide is CN(C)C(=O)C(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2OCC=O)CC1.
What is the InChIKey of N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide?
The InChIKey is IFEUDFPYOURKPC-RQWVFBBXSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-27(2)24(30)23(29)26-20-7-5-13-25-21(20)16-32-18-11-9-17(10-12-18)19-6-3-4-8-22(19)31-15-14-28/h3-4,6,8,14,17-18,20-21,25H,5,7,9-13,15-16H2,1-2H3,(H,26,29)/t17?,18?,20-,21-/m0/s1.
What are the key properties of N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide?
N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide has a molecular weight of 445.56 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]oxamide is sourced from PubChem (CID 166100538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).