2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide

C16H27N3O — CID 72926601

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCCn2cccc2)CC1
InChIInChI=1S/C16H27N3O/c1-14(2)19-10-5-15(6-11-19)13-16(20)17-7-12-18-8-3-4-9-18/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,17,20)
InChIKeyPCZWQTDVJGKWJV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.11
Rot. Bonds6

About 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide

2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 72926601) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID72926601
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCCn2cccc2)CC1
InChIInChI=1S/C16H27N3O/c1-14(2)19-10-5-15(6-11-19)13-16(20)17-7-12-18-8-3-4-9-18/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,17,20)
InChIKeyPCZWQTDVJGKWJV-UHFFFAOYSA-N
XLogP2.11
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide (CID 72926601) is 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide is CC(C)N1CCC(CC(=O)NCCn2cccc2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is PCZWQTDVJGKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(2)19-10-5-15(6-11-19)13-16(20)17-7-12-18-8-3-4-9-18/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,17,20).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 72926601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).