(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone

C12H16ClN3O — CID 43640269

IUPAC(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)cn1C1CC1)N1CCNCC1
InChIInChI=1S/C12H16ClN3O/c13-9-7-11(16(8-9)10-1-2-10)12(17)15-5-3-14-4-6-15/h7-8,10,14H,1-6H2
InChIKeyIEJXTRGJOHKVRP-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.52
Rot. Bonds2

About (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone

(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone (PubChem CID 43640269) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
PubChem CID43640269
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)cn1C1CC1)N1CCNCC1
InChIInChI=1S/C12H16ClN3O/c13-9-7-11(16(8-9)10-1-2-10)12(17)15-5-3-14-4-6-15/h7-8,10,14H,1-6H2
InChIKeyIEJXTRGJOHKVRP-UHFFFAOYSA-N
XLogP1.52
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974801
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104
(3-aminoazetidin-1-yl)-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 65244336
(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250944
1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146630
[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 115315134
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934476
(4-chloro-1-propylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 43639746
N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 66188247
(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979326
1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114610892

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone (CID 43640269) is (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone is O=C(c1cc(Cl)cn1C1CC1)N1CCNCC1.
What is the InChIKey of (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone?
The InChIKey is IEJXTRGJOHKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-7-11(16(8-9)10-1-2-10)12(17)15-5-3-14-4-6-15/h7-8,10,14H,1-6H2.
What are the key properties of (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone?
(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone has a molecular weight of 253.73 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 43640269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).