[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone

C14H17N5O — CID 129329822

IUPAC[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCN1CCN(C(=O)c2ccccn2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H17N5O/c1-18-8-9-19(10-12(18)13-16-6-7-17-13)14(20)11-4-2-3-5-15-11/h2-7,12H,8-10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyGTKIELRVQWEGCK-LBPRGKRZSA-N
MW271.32 g/mol
LogP0.93
Rot. Bonds2

About [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 129329822) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID129329822
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCN1CCN(C(=O)c2ccccn2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H17N5O/c1-18-8-9-19(10-12(18)13-16-6-7-17-13)14(20)11-4-2-3-5-15-11/h2-7,12H,8-10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyGTKIELRVQWEGCK-LBPRGKRZSA-N
XLogP0.93
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 129328621
1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129329066
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740
[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129337065
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 129341861
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129337888
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
4-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carbonyl]-3-methylbenzonitrile
CID 129331848

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 129329822) is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone is CN1CCN(C(=O)c2ccccn2)C[C@H]1c1ncc[nH]1.
What is the InChIKey of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GTKIELRVQWEGCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-8-9-19(10-12(18)13-16-6-7-17-13)14(20)11-4-2-3-5-15-11/h2-7,12H,8-10H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 129329822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).