N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide

C18H28N4O2 — CID 164639292

IUPACN-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCCN(C(=O)c2cnn(C3CCCC3)c2C)C1
InChIInChI=1S/C18H28N4O2/c1-13-17(11-20-22(13)16-7-3-4-8-16)18(24)21-9-5-6-15(12-21)10-19-14(2)23/h11,15-16H,3-10,12H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyBYMQMSXZBMFOQA-OAHLLOKOSA-N
MW332.45 g/mol
LogP2.29
Rot. Bonds4

About N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide

N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide (PubChem CID 164639292) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
PubChem CID164639292
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCCN(C(=O)c2cnn(C3CCCC3)c2C)C1
InChIInChI=1S/C18H28N4O2/c1-13-17(11-20-22(13)16-7-3-4-8-16)18(24)21-9-5-6-15(12-21)10-19-14(2)23/h11,15-16H,3-10,12H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyBYMQMSXZBMFOQA-OAHLLOKOSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide (CID 164639292) is N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@H]1CCCN(C(=O)c2cnn(C3CCCC3)c2C)C1.
What is the InChIKey of N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is BYMQMSXZBMFOQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-17(11-20-22(13)16-7-3-4-8-16)18(24)21-9-5-6-15(12-21)10-19-14(2)23/h11,15-16H,3-10,12H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?
N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 164639292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).