3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide

C12H19N5O2 — CID 71892817

IUPAC3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)NC1CCCN(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C12H19N5O2/c1-9(18)15-11-3-2-6-17(8-11)12(19)13-7-10-4-5-14-16-10/h4-5,11H,2-3,6-8H2,1H3,(H,13,19)(H,14,16)(H,15,18)
InChIKeyIJOZKVAFJLLASY-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.22
Rot. Bonds3

About 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide

3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide (PubChem CID 71892817) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
PubChem CID71892817
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)NC1CCCN(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C12H19N5O2/c1-9(18)15-11-3-2-6-17(8-11)12(19)13-7-10-4-5-14-16-10/h4-5,11H,2-3,6-8H2,1H3,(H,13,19)(H,14,16)(H,15,18)
InChIKeyIJOZKVAFJLLASY-UHFFFAOYSA-N
XLogP0.22
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)succinamide
CID 46985825
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
1-(4-methyl-2-morpholin-4-ylpentyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 53498203
4-(methanesulfonamido)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 53504947
4-ethyl-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 53505648
N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53506345
4-acetyl-N-(1H-pyrazol-5-ylmethyl)-1,4-diazepane-1-carboxamide
CID 71892814
3-(methanesulfonamido)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 71892816
1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893202
1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 71893417
N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75420121
1-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 134790097

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide (CID 71892817) is 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide is CC(=O)NC1CCCN(C(=O)NCc2ccn[nH]2)C1.
What is the InChIKey of 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
The InChIKey is IJOZKVAFJLLASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(18)15-11-3-2-6-17(8-11)12(19)13-7-10-4-5-14-16-10/h4-5,11H,2-3,6-8H2,1H3,(H,13,19)(H,14,16)(H,15,18).
What are the key properties of 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide?
3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71892817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).