1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid

C18H18ClN3O4 — CID 122085769

IUPAC1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C18H18ClN3O4/c19-13-1-6-16(20-11-13)26-15-4-2-14(3-5-15)21-18(25)22-9-7-12(8-10-22)17(23)24/h1-6,11-12H,7-10H2,(H,21,25)(H,23,24)
InChIKeyMIVSVWDAXZFPBR-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.86
Rot. Bonds4

About 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122085769) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122085769
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C18H18ClN3O4/c19-13-1-6-16(20-11-13)26-15-4-2-14(3-5-15)21-18(25)22-9-7-12(8-10-22)17(23)24/h1-6,11-12H,7-10H2,(H,21,25)(H,23,24)
InChIKeyMIVSVWDAXZFPBR-UHFFFAOYSA-N
XLogP3.86
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091824
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119864102
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150
1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122089479
1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078438
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122085769) is 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1.
What is the InChIKey of 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is MIVSVWDAXZFPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-13-1-6-16(20-11-13)26-15-4-2-14(3-5-15)21-18(25)22-9-7-12(8-10-22)17(23)24/h1-6,11-12H,7-10H2,(H,21,25)(H,23,24).
What are the key properties of 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 375.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122085769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).