4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide

C15H26N4O — CID 61139289

IUPAC4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(N)cn2C(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-4-18-7-5-13(6-8-18)17-15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyAYNXLUDKRPQSQN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.87
Rot. Bonds4

About 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61139289) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61139289
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(N)cn2C(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-4-18-7-5-13(6-8-18)17-15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyAYNXLUDKRPQSQN-UHFFFAOYSA-N
XLogP1.87
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 61139289) is 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide is CCN1CCC(NC(=O)c2cc(N)cn2C(C)C)CC1.
What is the InChIKey of 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is AYNXLUDKRPQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-18-7-5-13(6-8-18)17-15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13H,4-8,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61139289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).