2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide

C17H25N5O2 — CID 91632758

IUPAC2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C17H25N5O2/c1-12(23)18-11-17(24)19-14-6-8-22(9-7-14)16-10-13-4-2-3-5-15(13)20-21-16/h10,14H,2-9,11H2,1H3,(H,18,23)(H,19,24)
InChIKeyZJHVIWJTKNFBSN-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.58
Rot. Bonds4

About 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide

2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide (PubChem CID 91632758) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide
PubChem CID91632758
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C17H25N5O2/c1-12(23)18-11-17(24)19-14-6-8-22(9-7-14)16-10-13-4-2-3-5-15(13)20-21-16/h10,14H,2-9,11H2,1H3,(H,18,23)(H,19,24)
InChIKeyZJHVIWJTKNFBSN-UHFFFAOYSA-N
XLogP0.58
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide (CID 91632758) is 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide is CC(=O)NCC(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1.
What is the InChIKey of 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
The InChIKey is ZJHVIWJTKNFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(23)18-11-17(24)19-14-6-8-22(9-7-14)16-10-13-4-2-3-5-15(13)20-21-16/h10,14H,2-9,11H2,1H3,(H,18,23)(H,19,24).
What are the key properties of 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide?
2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91632758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).