4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide

C16H22N6O — CID 125165028

IUPAC4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H22N6O/c23-15(6-1-4-13-10-19-20-11-13)21-14-5-2-9-22(12-14)16-17-7-3-8-18-16/h3,7-8,10-11,14H,1-2,4-6,9,12H2,(H,19,20)(H,21,23)/t14-/m1/s1
InChIKeyFYHLQDSRWMHUCE-CQSZACIVSA-N
MW314.39 g/mol
LogP1.31
Rot. Bonds6

About 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide

4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide (PubChem CID 125165028) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
PubChem CID125165028
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H22N6O/c23-15(6-1-4-13-10-19-20-11-13)21-14-5-2-9-22(12-14)16-17-7-3-8-18-16/h3,7-8,10-11,14H,1-2,4-6,9,12H2,(H,19,20)(H,21,23)/t14-/m1/s1
InChIKeyFYHLQDSRWMHUCE-CQSZACIVSA-N
XLogP1.31
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
N-(1-cyclohexylpyrrolidin-3-yl)-3-(1H-pyrazol-4-yl)propanamide
CID 132984215
4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55803550
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55802709
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide (CID 125165028) is 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide is O=C(CCCc1cn[nH]c1)N[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide?
The InChIKey is FYHLQDSRWMHUCE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N6O/c23-15(6-1-4-13-10-19-20-11-13)21-14-5-2-9-22(12-14)16-17-7-3-8-18-16/h3,7-8,10-11,14H,1-2,4-6,9,12H2,(H,19,20)(H,21,23)/t14-/m1/s1.
What are the key properties of 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide?
4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide is sourced from PubChem (CID 125165028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).