N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide

C13H20N4O2 — CID 78924914

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H20N4O2/c1-9-10(8-16-17-9)3-2-6-14-13(19)11-4-5-12(18)15-7-11/h8,11H,2-7H2,1H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyYHJOZHGIKIYJQX-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.29
Rot. Bonds5

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 78924914) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID78924914
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H20N4O2/c1-9-10(8-16-17-9)3-2-6-14-13(19)11-4-5-12(18)15-7-11/h8,11H,2-7H2,1H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyYHJOZHGIKIYJQX-UHFFFAOYSA-N
XLogP0.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 62039009
(3R)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 94338423
(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 114084882
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 73419587
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111042629
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 62038805

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide (CID 78924914) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide is Cc1[nH]ncc1CCCNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is YHJOZHGIKIYJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-10(8-16-17-9)3-2-6-14-13(19)11-4-5-12(18)15-7-11/h8,11H,2-7H2,1H3,(H,14,19)(H,15,18)(H,16,17).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78924914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).