1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid

C18H24ClN3O4 — CID 122013124

IUPAC1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1
InChIInChI=1S/C18H24ClN3O4/c19-15-1-2-16(21-7-9-26-10-8-21)14(11-15)12-20-18(25)22-5-3-13(4-6-22)17(23)24/h1-2,11,13H,3-10,12H2,(H,20,25)(H,23,24)
InChIKeyFZVGVGMLIIKBDB-UHFFFAOYSA-N
MW381.86 g/mol
LogP2.18
Rot. Bonds4

About 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122013124) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122013124
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1
InChIInChI=1S/C18H24ClN3O4/c19-15-1-2-16(21-7-9-26-10-8-21)14(11-15)12-20-18(25)22-5-3-13(4-6-22)17(23)24/h1-2,11,13H,3-10,12H2,(H,20,25)(H,23,24)
InChIKeyFZVGVGMLIIKBDB-UHFFFAOYSA-N
XLogP2.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 136540076
1-[(4-chloro-2-ethoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007640
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 100689823
4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide
CID 48958028
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
CID 167918382
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025142
4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106058

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 122013124) is 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1.
What is the InChIKey of 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is FZVGVGMLIIKBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c19-15-1-2-16(21-7-9-26-10-8-21)14(11-15)12-20-18(25)22-5-3-13(4-6-22)17(23)24/h1-2,11,13H,3-10,12H2,(H,20,25)(H,23,24).
What are the key properties of 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 381.86 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122013124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).