N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide

C15H24N4O2 — CID 63637829

IUPACN-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(=O)c1cccn1C)C1CCCNC1
InChIInChI=1S/C15H24N4O2/c1-3-19(12-6-4-8-16-10-12)11-14(20)17-15(21)13-7-5-9-18(13)2/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3,(H,17,20,21)
InChIKeyXOJBFZIIMYNDJM-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.36
Rot. Bonds5

About N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide

N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide (PubChem CID 63637829) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide
PubChem CID63637829
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(=O)c1cccn1C)C1CCCNC1
InChIInChI=1S/C15H24N4O2/c1-3-19(12-6-4-8-16-10-12)11-14(20)17-15(21)13-7-5-9-18(13)2/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3,(H,17,20,21)
InChIKeyXOJBFZIIMYNDJM-UHFFFAOYSA-N
XLogP0.36
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide
CID 62020048
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 55245115
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638162
2-[ethyl(piperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 63637463
N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63636963
N-[(3R)-piperidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 113436690
N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610281
N-(azepan-4-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 104974495

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide (CID 63637829) is N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide is CCN(CC(=O)NC(=O)c1cccn1C)C1CCCNC1.
What is the InChIKey of N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XOJBFZIIMYNDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(12-6-4-8-16-10-12)11-14(20)17-15(21)13-7-5-9-18(13)2/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3,(H,17,20,21).
What are the key properties of N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(piperidin-3-yl)amino]acetyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 63637829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).