1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide

C22H34N2O3 — CID 100703803

IUPAC1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCC1
InChIInChI=1S/C22H34N2O3/c1-18-8-4-7-15-24(18)16-17-27-20-11-9-19(10-12-20)23-21(25)22(26-2)13-5-3-6-14-22/h9-12,18H,3-8,13-17H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyCPYRHSSQBXDIAE-SFHVURJKSA-N
MW374.53 g/mol
LogP4.23
Rot. Bonds7

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

1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 100703803) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
PubChem CID100703803
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCC1
InChIInChI=1S/C22H34N2O3/c1-18-8-4-7-15-24(18)16-17-27-20-11-9-19(10-12-20)23-21(25)22(26-2)13-5-3-6-14-22/h9-12,18H,3-8,13-17H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyCPYRHSSQBXDIAE-SFHVURJKSA-N
XLogP4.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133246779
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100732660
1-methyl-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133245840
1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 133188306
1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133187938
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
1-ethoxy-4-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060354
1-ethoxy-4-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 100734391
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
CID 133246116
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100666816

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide (CID 100703803) is 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide is COC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCC1.
What is the InChIKey of 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
The InChIKey is CPYRHSSQBXDIAE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-18-8-4-7-15-24(18)16-17-27-20-11-9-19(10-12-20)23-21(25)22(26-2)13-5-3-6-14-22/h9-12,18H,3-8,13-17H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100703803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).