4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid

C20H28N2O4 — CID 67802753

IUPAC4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C20H28N2O4/c23-19(22-17-5-1-16(2-6-17)20(24)25)15-3-7-18(8-4-15)26-13-14-9-11-21-12-10-14/h3-4,7-8,14,16-17,21H,1-2,5-6,9-13H2,(H,22,23)(H,24,25)
InChIKeyCIKVEJSNHLHEJJ-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.44
Rot. Bonds6

About 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 67802753) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID67802753
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C20H28N2O4/c23-19(22-17-5-1-16(2-6-17)20(24)25)15-3-7-18(8-4-15)26-13-14-9-11-21-12-10-14/h3-4,7-8,14,16-17,21H,1-2,5-6,9-13H2,(H,22,23)(H,24,25)
InChIKeyCIKVEJSNHLHEJJ-UHFFFAOYSA-N
XLogP2.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
N-cyclopropyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzamide
CID 95169854
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone
CID 170861083
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide
CID 71841529
4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537467
3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67803204
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 67802753) is 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CIKVEJSNHLHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(22-17-5-1-16(2-6-17)20(24)25)15-3-7-18(8-4-15)26-13-14-9-11-21-12-10-14/h3-4,7-8,14,16-17,21H,1-2,5-6,9-13H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67802753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).