2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide

C16H29N5O2 — CID 98148838

IUPAC2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1
InChIInChI=1S/C16H29N5O2/c1-4-7-21-15(5-6-17-21)18-16(23)12-19-8-9-20(11-14(3)22)13(2)10-19/h5-6,13-14,22H,4,7-12H2,1-3H3,(H,18,23)/t13-,14-/m1/s1
InChIKeyZBSRTDRVCBSDJH-ZIAGYGMSSA-N
MW323.44 g/mol
LogP0.62
Rot. Bonds7

About 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide

2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 98148838) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID98148838
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1
InChIInChI=1S/C16H29N5O2/c1-4-7-21-15(5-6-17-21)18-16(23)12-19-8-9-20(11-14(3)22)13(2)10-19/h5-6,13-14,22H,4,7-12H2,1-3H3,(H,18,23)/t13-,14-/m1/s1
InChIKeyZBSRTDRVCBSDJH-ZIAGYGMSSA-N
XLogP0.62
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (CID 98148838) is 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1.
What is the InChIKey of 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is ZBSRTDRVCBSDJH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-4-7-21-15(5-6-17-21)18-16(23)12-19-8-9-20(11-14(3)22)13(2)10-19/h5-6,13-14,22H,4,7-12H2,1-3H3,(H,18,23)/t13-,14-/m1/s1.
What are the key properties of 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 98148838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).