piperazin-1-yl-(1-propylpyrrol-2-yl)methanone

C12H19N3O — CID 43639000

IUPACpiperazin-1-yl-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-7-14-8-3-4-11(14)12(16)15-9-5-13-6-10-15/h3-4,8,13H,2,5-7,9-10H2,1H3
InChIKeyMHCKTVYBLLEISD-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.94
Rot. Bonds3

About piperazin-1-yl-(1-propylpyrrol-2-yl)methanone

piperazin-1-yl-(1-propylpyrrol-2-yl)methanone (PubChem CID 43639000) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is piperazin-1-yl-(1-propylpyrrol-2-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(1-propylpyrrol-2-yl)methanone
PubChem CID43639000
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Namepiperazin-1-yl-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-7-14-8-3-4-11(14)12(16)15-9-5-13-6-10-15/h3-4,8,13H,2,5-7,9-10H2,1H3
InChIKeyMHCKTVYBLLEISD-UHFFFAOYSA-N
XLogP0.94
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
[1-(cyclopropylmethyl)pyrrol-2-yl]-piperazin-1-ylmethanone
CID 82510319
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 103357517
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
(4-chloro-1-propylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 43639746
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
[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 piperazin-1-yl-(1-propylpyrrol-2-yl)methanone?
The IUPAC name of piperazin-1-yl-(1-propylpyrrol-2-yl)methanone (CID 43639000) is piperazin-1-yl-(1-propylpyrrol-2-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(1-propylpyrrol-2-yl)methanone?
The canonical SMILES for piperazin-1-yl-(1-propylpyrrol-2-yl)methanone is CCCn1cccc1C(=O)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(1-propylpyrrol-2-yl)methanone?
The InChIKey is MHCKTVYBLLEISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-7-14-8-3-4-11(14)12(16)15-9-5-13-6-10-15/h3-4,8,13H,2,5-7,9-10H2,1H3.
What are the key properties of piperazin-1-yl-(1-propylpyrrol-2-yl)methanone?
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone has a molecular weight of 221.30 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 piperazin-1-yl-(1-propylpyrrol-2-yl)methanone is sourced from PubChem (CID 43639000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).