N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

C15H24N4O2 — CID 103353103

IUPACN-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESCCC1CCN(CC(=O)NC(=O)c2ccc[nH]2)C(CN)C1
InChIInChI=1S/C15H24N4O2/c1-2-11-5-7-19(12(8-11)9-16)10-14(20)18-15(21)13-4-3-6-17-13/h3-4,6,11-12,17H,2,5,7-10,16H2,1H3,(H,18,20,21)
InChIKeyGDANLMDLLUGYSB-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.72
Rot. Bonds5

About N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (PubChem CID 103353103) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
PubChem CID103353103
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESCCC1CCN(CC(=O)NC(=O)c2ccc[nH]2)C(CN)C1
InChIInChI=1S/C15H24N4O2/c1-2-11-5-7-19(12(8-11)9-16)10-14(20)18-15(21)13-4-3-6-17-13/h3-4,6,11-12,17H,2,5,7-10,16H2,1H3,(H,18,20,21)
InChIKeyGDANLMDLLUGYSB-UHFFFAOYSA-N
XLogP0.72
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62015911
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 115316691
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62021956
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
CID 103353042
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 103352926
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 103353022
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 103352964
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 103352927
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 103353089
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid
CID 103352959

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (CID 103353103) is N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is CCC1CCN(CC(=O)NC(=O)c2ccc[nH]2)C(CN)C1.
What is the InChIKey of N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GDANLMDLLUGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-11-5-7-19(12(8-11)9-16)10-14(20)18-15(21)13-4-3-6-17-13/h3-4,6,11-12,17H,2,5,7-10,16H2,1H3,(H,18,20,21).
What are the key properties of N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103353103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).