N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C13H21N5O2 — CID 47220435

IUPACN-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CCC(N)=O)CC2)cn1
InChIInChI=1S/C13H21N5O2/c1-17-9-10(8-15-17)13(20)16-11-2-5-18(6-3-11)7-4-12(14)19/h8-9,11H,2-7H2,1H3,(H2,14,19)(H,16,20)
InChIKeyMUJMMLMSLUQGDX-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.51
Rot. Bonds5

About N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 47220435) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID47220435
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CCC(N)=O)CC2)cn1
InChIInChI=1S/C13H21N5O2/c1-17-9-10(8-15-17)13(20)16-11-2-5-18(6-3-11)7-4-12(14)19/h8-9,11H,2-7H2,1H3,(H2,14,19)(H,16,20)
InChIKeyMUJMMLMSLUQGDX-UHFFFAOYSA-N
XLogP-0.51
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 47220435) is N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(CCC(N)=O)CC2)cn1.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MUJMMLMSLUQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17-9-10(8-15-17)13(20)16-11-2-5-18(6-3-11)7-4-12(14)19/h8-9,11H,2-7H2,1H3,(H2,14,19)(H,16,20).
What are the key properties of N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47220435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).