2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide

C20H21N5O2 — CID 72867449

IUPAC2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3ccccc3cn2)CC1
InChIInChI=1S/C20H21N5O2/c21-18(26)13-25-10-7-22-19(25)14-5-8-24(9-6-14)20(27)17-11-15-3-1-2-4-16(15)12-23-17/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,21,26)
InChIKeyMTVSHADKJCLKRL-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72867449) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72867449
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3ccccc3cn2)CC1
InChIInChI=1S/C20H21N5O2/c21-18(26)13-25-10-7-22-19(25)14-5-8-24(9-6-14)20(27)17-11-15-3-1-2-4-16(15)12-23-17/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,21,26)
InChIKeyMTVSHADKJCLKRL-UHFFFAOYSA-N
XLogP1.94
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide (CID 72867449) is 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3ccccc3cn2)CC1.
What is the InChIKey of 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is MTVSHADKJCLKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-18(26)13-25-10-7-22-19(25)14-5-8-24(9-6-14)20(27)17-11-15-3-1-2-4-16(15)12-23-17/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,21,26).
What are the key properties of 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72867449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).