2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C18H26N4O3 — CID 39488062

IUPAC2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ncccc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H26N4O3/c1-25-17-15(6-5-7-19-17)18(24)22-12-10-20(11-13-22)14-16(23)21-8-3-2-4-9-21/h5-7H,2-4,8-14H2,1H3
InChIKeyMUXJZBAFIUBNQC-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.86
Rot. Bonds4

About 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 39488062) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID39488062
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ncccc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H26N4O3/c1-25-17-15(6-5-7-19-17)18(24)22-12-10-20(11-13-22)14-16(23)21-8-3-2-4-9-21/h5-7H,2-4,8-14H2,1H3
InChIKeyMUXJZBAFIUBNQC-UHFFFAOYSA-N
XLogP0.86
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone 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

[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95325642
2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(2-methoxy-3-pyridinyl)-[4-[(3-methylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 138382501
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
2-[4-[2-(4-chlorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 39488062) is 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is COc1ncccc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is MUXJZBAFIUBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-17-15(6-5-7-19-17)18(24)22-12-10-20(11-13-22)14-16(23)21-8-3-2-4-9-21/h5-7H,2-4,8-14H2,1H3.
What are the key properties of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 346.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 39488062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).