(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid

C14H21N3O3 — CID 124755509

IUPAC(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CCCN(C(=O)CCCn2cccn2)C1
InChIInChI=1S/C14H21N3O3/c1-14(13(19)20)6-3-8-16(11-14)12(18)5-2-9-17-10-4-7-15-17/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyQPIRWMFSCOCHNA-AWEZNQCLSA-N
MW279.34 g/mol
LogP1.38
Rot. Bonds5

About (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid

(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid (PubChem CID 124755509) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid
PubChem CID124755509
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CCCN(C(=O)CCCn2cccn2)C1
InChIInChI=1S/C14H21N3O3/c1-14(13(19)20)6-3-8-16(11-14)12(18)5-2-9-17-10-4-7-15-17/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyQPIRWMFSCOCHNA-AWEZNQCLSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 55165297
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682
3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 107322936
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
(6S)-1,10-dimethyl-4-(4-pyrazol-1-ylbutanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136319
1-(2-butylsulfanylacetyl)-3-methylpiperidine-3-carboxylic acid
CID 63134117
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
2-tert-butyl-1'-(4-pyrazol-1-ylbutanoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565807
4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 135113601
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 155499716
3-methyl-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 63134016
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid (CID 124755509) is (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid is C[C@]1(C(=O)O)CCCN(C(=O)CCCn2cccn2)C1.
What is the InChIKey of (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid?
The InChIKey is QPIRWMFSCOCHNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(13(19)20)6-3-8-16(11-14)12(18)5-2-9-17-10-4-7-15-17/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid?
(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 124755509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).