3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid

C16H27N3O2 — CID 164638209

IUPAC3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid
SMILESCn1ccc([C@H]2CCCN(CCC(C)(C)CC(=O)O)C2)n1
InChIInChI=1S/C16H27N3O2/c1-16(2,11-15(20)21)7-10-19-8-4-5-13(12-19)14-6-9-18(3)17-14/h6,9,13H,4-5,7-8,10-12H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyAKKSWWPYPXKQSJ-ZDUSSCGKSA-N
MW293.41 g/mol
LogP2.49
Rot. Bonds6

About 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid

3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid (PubChem CID 164638209) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid
PubChem CID164638209
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid
SMILESCn1ccc([C@H]2CCCN(CCC(C)(C)CC(=O)O)C2)n1
InChIInChI=1S/C16H27N3O2/c1-16(2,11-15(20)21)7-10-19-8-4-5-13(12-19)14-6-9-18(3)17-14/h6,9,13H,4-5,7-8,10-12H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyAKKSWWPYPXKQSJ-ZDUSSCGKSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-4-carboxylic acid
CID 83815901
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 83815902
2-methyl-2-(1-methyl-1H-pyrazol-5-yl)propanoic acid
CID 63963504
1-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 82597064
2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 105433764
rac-(2R,3R)-1-ethyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxylic acid
CID 122155896
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
2-(5-cyclopropyl-1H-pyrazol-1-yl)pentanoic acid
CID 137942806
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid (CID 164638209) is 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid is Cn1ccc([C@H]2CCCN(CCC(C)(C)CC(=O)O)C2)n1.
What is the InChIKey of 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid?
The InChIKey is AKKSWWPYPXKQSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,11-15(20)21)7-10-19-8-4-5-13(12-19)14-6-9-18(3)17-14/h6,9,13H,4-5,7-8,10-12H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid?
3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 164638209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).