1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid

C20H22N2O5 — CID 122087465

IUPAC1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22N2O5/c1-26-18-13-16(27-15-5-3-2-4-6-15)7-8-17(18)21-20(25)22-11-9-14(10-12-22)19(23)24/h2-8,13-14H,9-12H2,1H3,(H,21,25)(H,23,24)
InChIKeySFYRLHDNBFWDGA-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.82
Rot. Bonds5

About 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122087465) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122087465
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22N2O5/c1-26-18-13-16(27-15-5-3-2-4-6-15)7-8-17(18)21-20(25)22-11-9-14(10-12-22)19(23)24/h2-8,13-14H,9-12H2,1H3,(H,21,25)(H,23,24)
InChIKeySFYRLHDNBFWDGA-UHFFFAOYSA-N
XLogP3.82
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087463
1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122089479
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078081
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090893
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122087465) is 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid is COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is SFYRLHDNBFWDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-26-18-13-16(27-15-5-3-2-4-6-15)7-8-17(18)21-20(25)22-11-9-14(10-12-22)19(23)24/h2-8,13-14H,9-12H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122087465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).