N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C16H27N5O2 — CID 119312997

IUPACN-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCCC(N)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H27N5O2/c1-3-4-14(17)16(23)21-7-5-12(6-8-21)9-18-15(22)13-10-19-20(2)11-13/h10-12,14H,3-9,17H2,1-2H3,(H,18,22)
InChIKeyFOCXIMGNSYRVDH-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.52
Rot. Bonds6

About N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 119312997) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID119312997
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCCC(N)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H27N5O2/c1-3-4-14(17)16(23)21-7-5-12(6-8-21)9-18-15(22)13-10-19-20(2)11-13/h10-12,14H,3-9,17H2,1-2H3,(H,18,22)
InChIKeyFOCXIMGNSYRVDH-UHFFFAOYSA-N
XLogP0.52
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 119312997) is N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is CCCC(N)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FOCXIMGNSYRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-3-4-14(17)16(23)21-7-5-12(6-8-21)9-18-15(22)13-10-19-20(2)11-13/h10-12,14H,3-9,17H2,1-2H3,(H,18,22).
What are the key properties of N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119312997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).