cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide

C22H32N2O4 — CID 100705982

IUPACcis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC[C@H](C)C1
InChIInChI=1S/C22H32N2O4/c1-17-7-6-12-22(15-17,27-2)21(26)23-18-8-10-19(11-9-18)28-16-20(25)24-13-4-3-5-14-24/h8-11,17H,3-7,12-16H2,1-2H3,(H,23,26)/t17-,22-/m0/s1
InChIKeyNUHHPCPZTRPWRZ-JTSKRJEESA-N
MW388.51 g/mol
LogP3.61
Rot. Bonds6

About cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide

cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 100705982) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID100705982
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Namecis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC[C@H](C)C1
InChIInChI=1S/C22H32N2O4/c1-17-7-6-12-22(15-17,27-2)21(26)23-18-8-10-19(11-9-18)28-16-20(25)24-13-4-3-5-14-24/h8-11,17H,3-7,12-16H2,1-2H3,(H,23,26)/t17-,22-/m0/s1
InChIKeyNUHHPCPZTRPWRZ-JTSKRJEESA-N
XLogP3.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 133246150
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
cis-(1R,3R)-1-methoxy-3-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100706654
cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
CID 100706928
cis-(1S,3S)-N-[4-(2-bromoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706082
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706109
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712
cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100705713
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
trans-(1S,3R)-N-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100715354
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide (CID 100705982) is cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide is CO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCC[C@H](C)C1.
What is the InChIKey of cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is NUHHPCPZTRPWRZ-JTSKRJEESA-N. The full InChI is InChI=1S/C22H32N2O4/c1-17-7-6-12-22(15-17,27-2)21(26)23-18-8-10-19(11-9-18)28-16-20(25)24-13-4-3-5-14-24/h8-11,17H,3-7,12-16H2,1-2H3,(H,23,26)/t17-,22-/m0/s1.
What are the key properties of cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide?
cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100705982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).