1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid

C14H22N4O3 — CID 95826382

IUPAC1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
SMILESCN(C)CC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H22N4O3/c1-16(2)10-13(19)17-5-3-11(4-6-17)8-18-9-12(7-15-18)14(20)21/h7,9,11H,3-6,8,10H2,1-2H3,(H,20,21)
InChIKeyVNPIHEWAROPALY-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.38
Rot. Bonds5

About 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid

1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid (PubChem CID 95826382) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
PubChem CID95826382
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
SMILESCN(C)CC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H22N4O3/c1-16(2)10-13(19)17-5-3-11(4-6-17)8-18-9-12(7-15-18)14(20)21/h7,9,11H,3-6,8,10H2,1-2H3,(H,20,21)
InChIKeyVNPIHEWAROPALY-UHFFFAOYSA-N
XLogP0.38
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826381
4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 146381080
1-(thietan-3-ylmethyl)pyrazole-4-carboxylic acid
CID 84668330
4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622534
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
1-[[1-[(3R,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
CID 124980440
1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
CID 124980441
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid (CID 95826382) is 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid is CN(C)CC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1.
What is the InChIKey of 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is VNPIHEWAROPALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16(2)10-13(19)17-5-3-11(4-6-17)8-18-9-12(7-15-18)14(20)21/h7,9,11H,3-6,8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 95826382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).