5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C19H25N3O5 — CID 122101998

IUPAC5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H25N3O5/c1-13-10-14(18(24)25)12-22(11-13)19(26)20-16-5-3-2-4-15(16)17(23)21-6-8-27-9-7-21/h2-5,13-14H,6-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyHLGJYTYGECRLDZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.73
Rot. Bonds3

About 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122101998) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122101998
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H25N3O5/c1-13-10-14(18(24)25)12-22(11-13)19(26)20-16-5-3-2-4-15(16)17(23)21-6-8-27-9-7-21/h2-5,13-14H,6-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyHLGJYTYGECRLDZ-UHFFFAOYSA-N
XLogP1.73
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103044
1-[[2-(1,1-difluoroethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103223
1-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101912
5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122102923
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122102767
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
N-[2-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71895877
tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 55698240
1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122102272
1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122101998) is 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HLGJYTYGECRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-13-10-14(18(24)25)12-22(11-13)19(26)20-16-5-3-2-4-15(16)17(23)21-6-8-27-9-7-21/h2-5,13-14H,6-12H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122101998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).