N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C21H28N4O3 — CID 56741991

IUPACN-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(C)OC(C)C(=O)N1CCC(n2nccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H28N4O3/c1-15(2)28-16(3)21(27)24-13-10-18(11-14-24)25-19(9-12-22-25)23-20(26)17-7-5-4-6-8-17/h4-9,12,15-16,18H,10-11,13-14H2,1-3H3,(H,23,26)
InChIKeyMQOXBNLQFVIFJY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 56741991) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID56741991
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(C)OC(C)C(=O)N1CCC(n2nccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H28N4O3/c1-15(2)28-16(3)21(27)24-13-10-18(11-14-24)25-19(9-12-22-25)23-20(26)17-7-5-4-6-8-17/h4-9,12,15-16,18H,10-11,13-14H2,1-3H3,(H,23,26)
InChIKeyMQOXBNLQFVIFJY-UHFFFAOYSA-N
XLogP3.11
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 56741991) is N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide is CC(C)OC(C)C(=O)N1CCC(n2nccc2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is MQOXBNLQFVIFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)28-16(3)21(27)24-13-10-18(11-14-24)25-19(9-12-22-25)23-20(26)17-7-5-4-6-8-17/h4-9,12,15-16,18H,10-11,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-propan-2-yloxypropanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 56741991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).