(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C17H25N3O3 — CID 136547051

IUPAC(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3OC(C)CC3C)CC2)nc1
InChIInChI=1S/C17H25N3O3/c1-12-10-13(2)23-16(12)17(21)20-8-6-19(7-9-20)15-5-4-14(22-3)11-18-15/h4-5,11-13,16H,6-10H2,1-3H3
InChIKeyDKCRFUBBNILOIN-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.55
Rot. Bonds3

About (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone

(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 136547051) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID136547051
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3OC(C)CC3C)CC2)nc1
InChIInChI=1S/C17H25N3O3/c1-12-10-13(2)23-16(12)17(21)20-8-6-19(7-9-20)15-5-4-14(22-3)11-18-15/h4-5,11-13,16H,6-10H2,1-3H3
InChIKeyDKCRFUBBNILOIN-UHFFFAOYSA-N
XLogP1.55
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)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

methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55794733
[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 136558415
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136551075
N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine
CID 106503919
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
(7-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 138460379
1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one
CID 136547047
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 136547051) is (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)C3OC(C)CC3C)CC2)nc1.
What is the InChIKey of (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is DKCRFUBBNILOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-13(2)23-16(12)17(21)20-8-6-19(7-9-20)15-5-4-14(22-3)11-18-15/h4-5,11-13,16H,6-10H2,1-3H3.
What are the key properties of (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136547051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).