N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

C14H22N4O2 — CID 115740642

IUPACN-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H22N4O2/c1-10(9-13(15)19)17-14(20)12-3-2-8-18(12)11-4-6-16-7-5-11/h2-3,8,10-11,16H,4-7,9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyRIXWZGJSFWVHJH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.41
Rot. Bonds5

About N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 115740642) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID115740642
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H22N4O2/c1-10(9-13(15)19)17-14(20)12-3-2-8-18(12)11-4-6-16-7-5-11/h2-3,8,10-11,16H,4-7,9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyRIXWZGJSFWVHJH-UHFFFAOYSA-N
XLogP0.41
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 115740642) is N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is CC(CC(N)=O)NC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is RIXWZGJSFWVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(9-13(15)19)17-14(20)12-3-2-8-18(12)11-4-6-16-7-5-11/h2-3,8,10-11,16H,4-7,9H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115740642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).