1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide

C12H20N4O — CID 115161785

IUPAC1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide
SMILESNCCN1CCC(C(=O)Nc2ccc[nH]2)CC1
InChIInChI=1S/C12H20N4O/c13-5-9-16-7-3-10(4-8-16)12(17)15-11-2-1-6-14-11/h1-2,6,10,14H,3-5,7-9,13H2,(H,15,17)
InChIKeyJDXYZQWBUQKEKR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.62
Rot. Bonds4

About 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide

1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide (PubChem CID 115161785) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide
PubChem CID115161785
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide
SMILESNCCN1CCC(C(=O)Nc2ccc[nH]2)CC1
InChIInChI=1S/C12H20N4O/c13-5-9-16-7-3-10(4-8-16)12(17)15-11-2-1-6-14-11/h1-2,6,10,14H,3-5,7-9,13H2,(H,15,17)
InChIKeyJDXYZQWBUQKEKR-UHFFFAOYSA-N
XLogP0.62
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide (CID 115161785) is 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide is NCCN1CCC(C(=O)Nc2ccc[nH]2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide?
The InChIKey is JDXYZQWBUQKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-5-9-16-7-3-10(4-8-16)12(17)15-11-2-1-6-14-11/h1-2,6,10,14H,3-5,7-9,13H2,(H,15,17).
What are the key properties of 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide?
1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 115161785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).