1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid

C16H23N3O4 — CID 122084895

IUPAC1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)COc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C16H23N3O4/c1-11(2)10-23-14-6-5-13(8-17-14)18-16(22)19-7-3-4-12(9-19)15(20)21/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyDNVDKHYFXLNJJY-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.44
Rot. Bonds5

About 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid

1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122084895) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122084895
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)COc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C16H23N3O4/c1-11(2)10-23-14-6-5-13(8-17-14)18-16(22)19-7-3-4-12(9-19)15(20)21/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyDNVDKHYFXLNJJY-UHFFFAOYSA-N
XLogP2.44
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 98349135
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
2-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 110014658
1-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075376
1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
CID 55878430
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077559
2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683489
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122091780

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid (CID 122084895) is 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid is CC(C)COc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DNVDKHYFXLNJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11(2)10-23-14-6-5-13(8-17-14)18-16(22)19-7-3-4-12(9-19)15(20)21/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122084895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).