N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide

C16H25N5O2 — CID 70732583

IUPACN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
SMILESCC(=O)N1CCCn2nc(CNC(=O)N3CCCCC3)cc2C1
InChIInChI=1S/C16H25N5O2/c1-13(22)20-8-5-9-21-15(12-20)10-14(18-21)11-17-16(23)19-6-3-2-4-7-19/h10H,2-9,11-12H2,1H3,(H,17,23)
InChIKeyQTSLNXSLHZNLTK-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.33
Rot. Bonds2

About N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide

N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 70732583) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID70732583
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
SMILESCC(=O)N1CCCn2nc(CNC(=O)N3CCCCC3)cc2C1
InChIInChI=1S/C16H25N5O2/c1-13(22)20-8-5-9-21-15(12-20)10-14(18-21)11-17-16(23)19-6-3-2-4-7-19/h10H,2-9,11-12H2,1H3,(H,17,23)
InChIKeyQTSLNXSLHZNLTK-UHFFFAOYSA-N
XLogP1.33
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide (CID 70732583) is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide is CC(=O)N1CCCn2nc(CNC(=O)N3CCCCC3)cc2C1.
What is the InChIKey of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is QTSLNXSLHZNLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13(22)20-8-5-9-21-15(12-20)10-14(18-21)11-17-16(23)19-6-3-2-4-7-19/h10H,2-9,11-12H2,1H3,(H,17,23).
What are the key properties of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide?
N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 70732583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).