cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone

C15H21N3O — CID 171326322

IUPACcyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccnc1CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-12-3-2-6-16-14(12)11-17-7-9-18(10-8-17)15(19)13-4-5-13/h2-3,6,13H,4-5,7-11H2,1H3
InChIKeyVCIDVDLUXDDUJP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.44
Rot. Bonds3

About cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 171326322) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID171326322
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Namecyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccnc1CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-12-3-2-6-16-14(12)11-17-7-9-18(10-8-17)15(19)13-4-5-13/h2-3,6,13H,4-5,7-11H2,1H3
InChIKeyVCIDVDLUXDDUJP-UHFFFAOYSA-N
XLogP1.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone 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

(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70736951
[3-hydroxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 154823229
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 46989818
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131948891
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
CID 110107506
4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
CID 72868148
(2R)-2-(2-methylimidazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 126445384

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (CID 171326322) is cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is Cc1cccnc1CN1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is VCIDVDLUXDDUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-3-2-6-16-14(12)11-17-7-9-18(10-8-17)15(19)13-4-5-13/h2-3,6,13H,4-5,7-11H2,1H3.
What are the key properties of cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 171326322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).