1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide

C23H36N2O3 — CID 100730573

IUPAC1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCCC1
InChIInChI=1S/C23H36N2O3/c1-3-28-23(13-5-4-6-14-23)22(26)24-20-9-11-21(12-10-20)27-17-16-25-15-7-8-19(2)18-25/h9-12,19H,3-8,13-18H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyMXUUBFHYCXBPND-LJQANCHMSA-N
MW388.55 g/mol
LogP4.48
Rot. Bonds8

About 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide

1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 100730573) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
PubChem CID100730573
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCCC1
InChIInChI=1S/C23H36N2O3/c1-3-28-23(13-5-4-6-14-23)22(26)24-20-9-11-21(12-10-20)27-17-16-25-15-7-8-19(2)18-25/h9-12,19H,3-8,13-18H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyMXUUBFHYCXBPND-LJQANCHMSA-N
XLogP4.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343
1-ethoxy-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730558
1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100734194
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246824
4-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 133246433
N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669431
1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100678357
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716765
1-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100692055
1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide
CID 125061190
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide (CID 100730573) is 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCCC1.
What is the InChIKey of 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
The InChIKey is MXUUBFHYCXBPND-LJQANCHMSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-3-28-23(13-5-4-6-14-23)22(26)24-20-9-11-21(12-10-20)27-17-16-25-15-7-8-19(2)18-25/h9-12,19H,3-8,13-18H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 388.55 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100730573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).