2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid

C14H22N4O3 — CID 81049063

IUPAC2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
SMILESCC(CC(=O)Nc1cnn(CC(=O)O)c1)C1CCCNC1
InChIInChI=1S/C14H22N4O3/c1-10(11-3-2-4-15-6-11)5-13(19)17-12-7-16-18(8-12)9-14(20)21/h7-8,10-11,15H,2-6,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQQEMDOXWWHCKSO-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.93
Rot. Bonds6

About 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid

2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid (PubChem CID 81049063) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
PubChem CID81049063
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
SMILESCC(CC(=O)Nc1cnn(CC(=O)O)c1)C1CCCNC1
InChIInChI=1S/C14H22N4O3/c1-10(11-3-2-4-15-6-11)5-13(19)17-12-7-16-18(8-12)9-14(20)21/h7-8,10-11,15H,2-6,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQQEMDOXWWHCKSO-UHFFFAOYSA-N
XLogP0.93
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
3-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 81044757
3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride
CID 119792908
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
CID 119728762
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728654
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid (CID 81049063) is 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid is CC(CC(=O)Nc1cnn(CC(=O)O)c1)C1CCCNC1.
What is the InChIKey of 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is QQEMDOXWWHCKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(11-3-2-4-15-6-11)5-13(19)17-12-7-16-18(8-12)9-14(20)21/h7-8,10-11,15H,2-6,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid?
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 81049063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).