1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

C17H27N5O3 — CID 122012001

IUPAC1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(NC(=O)N3CCCC(C(=O)O)C3)C2)n(C)n1
InChIInChI=1S/C17H27N5O3/c1-12-9-15(20(2)19-12)21-7-4-6-14(11-21)18-17(25)22-8-3-5-13(10-22)16(23)24/h9,13-14H,3-8,10-11H2,1-2H3,(H,18,25)(H,23,24)
InChIKeyBAEZFBYRNJSZRZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.20
Rot. Bonds3

About 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122012001) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122012001
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(NC(=O)N3CCCC(C(=O)O)C3)C2)n(C)n1
InChIInChI=1S/C17H27N5O3/c1-12-9-15(20(2)19-12)21-7-4-6-14(11-21)18-17(25)22-8-3-5-13(10-22)16(23)24/h9,13-14H,3-8,10-11H2,1-2H3,(H,18,25)(H,23,24)
InChIKeyBAEZFBYRNJSZRZ-UHFFFAOYSA-N
XLogP1.20
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-(2,5-dimethylpyrazol-3-yl)piperidine-3-carboxamide
CID 67413079
(3S)-1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 78996840
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
CID 124618097
N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]pyrido[2,3-b]pyrazine-6-carboxamide
CID 128571878
N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 136565035
1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009300
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122012001) is 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is Cc1cc(N2CCCC(NC(=O)N3CCCC(C(=O)O)C3)C2)n(C)n1.
What is the InChIKey of 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BAEZFBYRNJSZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12-9-15(20(2)19-12)21-7-4-6-14(11-21)18-17(25)22-8-3-5-13(10-22)16(23)24/h9,13-14H,3-8,10-11H2,1-2H3,(H,18,25)(H,23,24).
What are the key properties of 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 349.44 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122012001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).