2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

C22H32N2O4 — CID 22685902

IUPAC2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C22H32N2O4/c25-21(19-9-2-3-10-20(19)22(26)27)23-16-17-7-6-8-18(15-17)28-14-13-24-11-4-1-5-12-24/h6-8,15,19-20H,1-5,9-14,16H2,(H,23,25)(H,26,27)
InChIKeyZWSHMHSBIBAROK-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.06
Rot. Bonds8

About 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 22685902) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID22685902
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C22H32N2O4/c25-21(19-9-2-3-10-20(19)22(26)27)23-16-17-7-6-8-18(15-17)28-14-13-24-11-4-1-5-12-24/h6-8,15,19-20H,1-5,9-14,16H2,(H,23,25)(H,26,27)
InChIKeyZWSHMHSBIBAROK-UHFFFAOYSA-N
XLogP3.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
cis-(1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 24984707
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 86904644
(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97220943
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 119865335

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 22685902) is 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCc1cccc(OCCN2CCCCC2)c1.
What is the InChIKey of 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZWSHMHSBIBAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c25-21(19-9-2-3-10-20(19)22(26)27)23-16-17-7-6-8-18(15-17)28-14-13-24-11-4-1-5-12-24/h6-8,15,19-20H,1-5,9-14,16H2,(H,23,25)(H,26,27).
What are the key properties of 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 388.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22685902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).