(2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide

C20H26N4O4 — CID 164632993

IUPAC(2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCC1CCN(C(=O)c2c(O)cccc2O)CC1)n1cccn1
InChIInChI=1S/C20H26N4O4/c1-2-15(24-10-4-9-22-24)19(27)21-13-14-7-11-23(12-8-14)20(28)18-16(25)5-3-6-17(18)26/h3-6,9-10,14-15,25-26H,2,7-8,11-13H2,1H3,(H,21,27)/t15-/m0/s1
InChIKeyZQHVUEJSDZHWFB-HNNXBMFYSA-N
MW386.45 g/mol
LogP1.91
Rot. Bonds6

About (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide

(2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 164632993) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID164632993
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name(2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCC1CCN(C(=O)c2c(O)cccc2O)CC1)n1cccn1
InChIInChI=1S/C20H26N4O4/c1-2-15(24-10-4-9-22-24)19(27)21-13-14-7-11-23(12-8-14)20(28)18-16(25)5-3-6-17(18)26/h3-6,9-10,14-15,25-26H,2,7-8,11-13H2,1H3,(H,21,27)/t15-/m0/s1
InChIKeyZQHVUEJSDZHWFB-HNNXBMFYSA-N
XLogP1.91
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide (CID 164632993) is (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide is CC[C@@H](C(=O)NCC1CCN(C(=O)c2c(O)cccc2O)CC1)n1cccn1.
What is the InChIKey of (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is ZQHVUEJSDZHWFB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-2-15(24-10-4-9-22-24)19(27)21-13-14-7-11-23(12-8-14)20(28)18-16(25)5-3-6-17(18)26/h3-6,9-10,14-15,25-26H,2,7-8,11-13H2,1H3,(H,21,27)/t15-/m0/s1.
What are the key properties of (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
(2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 386.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2,6-dihydroxybenzoyl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 164632993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).