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

C16H28ClN5O2 — CID 119312996

IUPACN-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1.Cl
InChIInChI=1S/C16H27N5O2.ClH/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);1H
InChIKeyPBHKKGZVSMGJQA-UHFFFAOYSA-N
MW357.89 g/mol
LogP0.94
Rot. Bonds6

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

N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119312996) has the molecular formula C16H28ClN5O2 and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119312996
Molecular FormulaC16H28ClN5O2
Molecular Weight357.89 g/mol
Exact Mass357.19
IUPAC NameN-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1.Cl
InChIInChI=1S/C16H27N5O2.ClH/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);1H
InChIKeyPBHKKGZVSMGJQA-UHFFFAOYSA-N
XLogP0.94
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 50.94
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;hydrochloride?
The IUPAC name of N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride (CID 119312996) is N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride is CCCC(N)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1.Cl.
What is the InChIKey of N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PBHKKGZVSMGJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2.ClH/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);1H.
What are the key properties of N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride?
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 0.94, 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;hydrochloride is sourced from PubChem (CID 119312996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).