(1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone

C14H21N3O — CID 64979925

IUPAC(1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C2CC2)C(C)CN1
InChIInChI=1S/C14H21N3O/c1-10-9-17(11(2)8-15-10)14(18)13-4-3-7-16(13)12-5-6-12/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3
InChIKeyZTLKHNAVHWDYLK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.65
Rot. Bonds2

About (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone

(1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 64979925) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID64979925
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C2CC2)C(C)CN1
InChIInChI=1S/C14H21N3O/c1-10-9-17(11(2)8-15-10)14(18)13-4-3-7-16(13)12-5-6-12/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3
InChIKeyZTLKHNAVHWDYLK-UHFFFAOYSA-N
XLogP1.65
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979326
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
CID 91090923
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000742
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 64979980
(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 63634555
3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43639306

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone (CID 64979925) is (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccn2C2CC2)C(C)CN1.
What is the InChIKey of (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is ZTLKHNAVHWDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-9-17(11(2)8-15-10)14(18)13-4-3-7-16(13)12-5-6-12/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3.
What are the key properties of (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
(1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64979925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).