2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide

C12H19N3O — CID 106384935

IUPAC2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(CC1CCCNC1)NCc1cc[nH]c1
InChIInChI=1S/C12H19N3O/c16-12(6-10-2-1-4-13-7-10)15-9-11-3-5-14-8-11/h3,5,8,10,13-14H,1-2,4,6-7,9H2,(H,15,16)
InChIKeyOIQZVYGEGUBPHT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds4

About 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide

2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106384935) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106384935
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(CC1CCCNC1)NCc1cc[nH]c1
InChIInChI=1S/C12H19N3O/c16-12(6-10-2-1-4-13-7-10)15-9-11-3-5-14-8-11/h3,5,8,10,13-14H,1-2,4,6-7,9H2,(H,15,16)
InChIKeyOIQZVYGEGUBPHT-UHFFFAOYSA-N
XLogP1.02
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385129
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114181942
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
N-[(3-methoxyphenyl)methyl]-2-piperidin-3-ylacetamide
CID 62691062
2-piperidin-3-yl-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 62675815
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385742
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384695
N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106384935) is 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide is O=C(CC1CCCNC1)NCc1cc[nH]c1.
What is the InChIKey of 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is OIQZVYGEGUBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(6-10-2-1-4-13-7-10)15-9-11-3-5-14-8-11/h3,5,8,10,13-14H,1-2,4,6-7,9H2,(H,15,16).
What are the key properties of 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106384935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).