N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide

C17H27N5O2 — CID 136586537

IUPACN-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(Cc2cn[nH]c2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(23)20-16(9-14-3-2-4-14)17(24)22-7-5-21(6-8-22)12-15-10-18-19-11-15/h10-11,14,16H,2-9,12H2,1H3,(H,18,19)(H,20,23)/t16-/m1/s1
InChIKeyTUWGRZRAOHKUAM-MRXNPFEDSA-N
MW333.44 g/mol
LogP0.75
Rot. Bonds6

About N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide

N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide (PubChem CID 136586537) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
PubChem CID136586537
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(Cc2cn[nH]c2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(23)20-16(9-14-3-2-4-14)17(24)22-7-5-21(6-8-22)12-15-10-18-19-11-15/h10-11,14,16H,2-9,12H2,1H3,(H,18,19)(H,20,23)/t16-/m1/s1
InChIKeyTUWGRZRAOHKUAM-MRXNPFEDSA-N
XLogP0.75
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide (CID 136586537) is N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide is CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(Cc2cn[nH]c2)CC1.
What is the InChIKey of N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide?
The InChIKey is TUWGRZRAOHKUAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(23)20-16(9-14-3-2-4-14)17(24)22-7-5-21(6-8-22)12-15-10-18-19-11-15/h10-11,14,16H,2-9,12H2,1H3,(H,18,19)(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide?
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 136586537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).