(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

C13H18ClN3O — CID 104974801

IUPAC(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)CCN1
InChIInChI=1S/C13H18ClN3O/c1-9-7-16(5-4-15-9)13(18)12-6-10(14)8-17(12)11-2-3-11/h6,8-9,11,15H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyKFCOWXWTAUVBBV-SECBINFHSA-N
MW267.76 g/mol
LogP1.91
Rot. Bonds2

About (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 104974801) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID104974801
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)CCN1
InChIInChI=1S/C13H18ClN3O/c1-9-7-16(5-4-15-9)13(18)12-6-10(14)8-17(12)11-2-3-11/h6,8-9,11,15H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyKFCOWXWTAUVBBV-SECBINFHSA-N
XLogP1.91
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 43640269
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974783
(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979326
(3-aminoazetidin-1-yl)-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 65244336
(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934476
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
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250944
(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 65417892
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 104974801) is (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)CCN1.
What is the InChIKey of (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is KFCOWXWTAUVBBV-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-7-16(5-4-15-9)13(18)12-6-10(14)8-17(12)11-2-3-11/h6,8-9,11,15H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 267.76 g/mol, XLogP of 1.91, 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)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 104974801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).