2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid

C20H27N3O5 — CID 136552724

IUPAC2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H27N3O5/c24-18(25)14-28-17-8-6-15(7-9-17)19(26)22-10-12-23(13-11-22)20(27)21-16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2,(H,21,27)(H,24,25)
InChIKeyRKUWMLHSGZKLIF-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.95
Rot. Bonds5

About 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid

2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid (PubChem CID 136552724) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid
PubChem CID136552724
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H27N3O5/c24-18(25)14-28-17-8-6-15(7-9-17)19(26)22-10-12-23(13-11-22)20(27)21-16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2,(H,21,27)(H,24,25)
InChIKeyRKUWMLHSGZKLIF-UHFFFAOYSA-N
XLogP1.95
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
CID 55651049
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552189
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid (CID 136552724) is 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is RKUWMLHSGZKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c24-18(25)14-28-17-8-6-15(7-9-17)19(26)22-10-12-23(13-11-22)20(27)21-16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2,(H,21,27)(H,24,25).
What are the key properties of 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid?
2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 389.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 136552724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).