[1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone

C13H19N3O — CID 82510319

IUPAC[1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cccn1CC1CC1)N1CCNCC1
InChIInChI=1S/C13H19N3O/c17-13(15-8-5-14-6-9-15)12-2-1-7-16(12)10-11-3-4-11/h1-2,7,11,14H,3-6,8-10H2
InChIKeySOORATSVCRGVRJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.94
Rot. Bonds3

About [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone

[1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone (PubChem CID 82510319) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone
PubChem CID82510319
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cccn1CC1CC1)N1CCNCC1
InChIInChI=1S/C13H19N3O/c17-13(15-8-5-14-6-9-15)12-2-1-7-16(12)10-11-3-4-11/h1-2,7,11,14H,3-6,8-10H2
InChIKeySOORATSVCRGVRJ-UHFFFAOYSA-N
XLogP0.94
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone 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

piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 114799242
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610353
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610444
[(3S)-3-methylpiperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 124591383

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone (CID 82510319) is [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone is O=C(c1cccn1CC1CC1)N1CCNCC1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone?
The InChIKey is SOORATSVCRGVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(15-8-5-14-6-9-15)12-2-1-7-16(12)10-11-3-4-11/h1-2,7,11,14H,3-6,8-10H2.
What are the key properties of [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone?
[1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82510319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).