3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride

C16H23ClN6O — CID 119792908

IUPAC3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride
SMILESCC(CC(=O)Nc1cnn(-c2ncccn2)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-12(13-4-2-5-17-9-13)8-15(23)21-14-10-20-22(11-14)16-18-6-3-7-19-16;/h3,6-7,10-13,17H,2,4-5,8-9H2,1H3,(H,21,23);1H
InChIKeyDKDOLXBMMDDQTM-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.05
Rot. Bonds5

About 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride

3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride (PubChem CID 119792908) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride
PubChem CID119792908
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC Name3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride
SMILESCC(CC(=O)Nc1cnn(-c2ncccn2)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-12(13-4-2-5-17-9-13)8-15(23)21-14-10-20-22(11-14)16-18-6-3-7-19-16;/h3,6-7,10-13,17H,2,4-5,8-9H2,1H3,(H,21,23);1H
InChIKeyDKDOLXBMMDDQTM-UHFFFAOYSA-N
XLogP2.05
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 81044757
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
CID 81049063
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride (CID 119792908) is 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride is CC(CC(=O)Nc1cnn(-c2ncccn2)c1)C1CCCNC1.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride?
The InChIKey is DKDOLXBMMDDQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.ClH/c1-12(13-4-2-5-17-9-13)8-15(23)21-14-10-20-22(11-14)16-18-6-3-7-19-16;/h3,6-7,10-13,17H,2,4-5,8-9H2,1H3,(H,21,23);1H.
What are the key properties of 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride?
3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 119792908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).