2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide

C18H25N5O2 — CID 91921610

IUPAC2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide
SMILESCC(=O)N1CCCC(c2[nH]ccc2C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C18H25N5O2/c1-14(24)22-10-2-5-15(13-22)17-16(6-9-19-17)18(25)20-7-3-11-23-12-4-8-21-23/h4,6,8-9,12,15,19H,2-3,5,7,10-11,13H2,1H3,(H,20,25)
InChIKeyRDZQQNHFPYGKLG-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.76
Rot. Bonds6

About 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide

2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide (PubChem CID 91921610) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide
PubChem CID91921610
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide
SMILESCC(=O)N1CCCC(c2[nH]ccc2C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C18H25N5O2/c1-14(24)22-10-2-5-15(13-22)17-16(6-9-19-17)18(25)20-7-3-11-23-12-4-8-21-23/h4,6,8-9,12,15,19H,2-3,5,7,10-11,13H2,1H3,(H,20,25)
InChIKeyRDZQQNHFPYGKLG-UHFFFAOYSA-N
XLogP1.76
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 97076083
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
1-[3-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl]ethanone
CID 91910364
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
CID 111143810
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
4-acetyl-N-butyl-N'-(3-pyrazol-1-ylpropyl)-1,4-diazepane-1-carboximidamide
CID 75462612
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 25453592
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide (CID 91921610) is 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide is CC(=O)N1CCCC(c2[nH]ccc2C(=O)NCCCn2cccn2)C1.
What is the InChIKey of 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide?
The InChIKey is RDZQQNHFPYGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(24)22-10-2-5-15(13-22)17-16(6-9-19-17)18(25)20-7-3-11-23-12-4-8-21-23/h4,6,8-9,12,15,19H,2-3,5,7,10-11,13H2,1H3,(H,20,25).
What are the key properties of 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide?
2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91921610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).