2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone

C19H29N5O3 — CID 72888763

IUPAC2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C)CC1C(=O)N1CCN(c2ncccc2C)CC1
InChIInChI=1S/C19H29N5O3/c1-15-5-4-6-20-18(15)22-8-10-23(11-9-22)19(26)16-13-21(2)7-12-24(16)17(25)14-27-3/h4-6,16H,7-14H2,1-3H3
InChIKeyPBSKTLHOHBPGGM-UHFFFAOYSA-N
MW375.47 g/mol
LogP-0.17
Rot. Bonds4

About 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 72888763) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID72888763
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C)CC1C(=O)N1CCN(c2ncccc2C)CC1
InChIInChI=1S/C19H29N5O3/c1-15-5-4-6-20-18(15)22-8-10-23(11-9-22)19(26)16-13-21(2)7-12-24(16)17(25)14-27-3/h4-6,16H,7-14H2,1-3H3
InChIKeyPBSKTLHOHBPGGM-UHFFFAOYSA-N
XLogP-0.17
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 97150239
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321
2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97276430
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
[(1S)-2,3-dihydro-1H-inden-1-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 97189343
2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 71876650
(5R)-1-cyclopropyl-5-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-2-one
CID 42189910
methyl 1-(3-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 55138629
1-(3-methoxyphenyl)sulfonyl-4-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-phenylimidazolidin-2-one
CID 25027712
1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
CID 90651702
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone (CID 72888763) is 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(C)CC1C(=O)N1CCN(c2ncccc2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is PBSKTLHOHBPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-15-5-4-6-20-18(15)22-8-10-23(11-9-22)19(26)16-13-21(2)7-12-24(16)17(25)14-27-3/h4-6,16H,7-14H2,1-3H3.
What are the key properties of 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 375.47 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 72888763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).