(4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C14H25N5O — CID 62886059

IUPAC(4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C14H25N5O/c1-16(2)4-5-18-6-8-19(9-7-18)14(20)13-10-12(15)11-17(13)3/h10-11H,4-9,15H2,1-3H3
InChIKeyOXTCLLNZTHOTDK-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.07
Rot. Bonds4

About (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

(4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 62886059) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID62886059
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C14H25N5O/c1-16(2)4-5-18-6-8-19(9-7-18)14(20)13-10-12(15)11-17(13)3/h10-11H,4-9,15H2,1-3H3
InChIKeyOXTCLLNZTHOTDK-UHFFFAOYSA-N
XLogP-0.07
TPSA57.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-diaminophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62887479
(4-amino-1-methylpyrrol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 43643113
1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 61110812
(3-amino-4-bromophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62884852
(5-aminopyrazin-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 107375502
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460696
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
(2-amino-3-chlorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 115540648
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(4-sulfanylphenyl)methanone
CID 107028812
(2-bromo-5-fluorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60698518
(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114542489
(2,3-dihydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 114344314

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 62886059) is (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)c2cc(N)cn2C)CC1.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is OXTCLLNZTHOTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-16(2)4-5-18-6-8-19(9-7-18)14(20)13-10-12(15)11-17(13)3/h10-11H,4-9,15H2,1-3H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
(4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 279.39 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrrol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 62886059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).