methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate

C19H28N4O3 — CID 133333967

IUPACmethyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)CC1
InChIInChI=1S/C19H28N4O3/c1-15-5-7-23(8-6-15)19(25)16-3-4-17(20-13-16)22-11-9-21(10-12-22)14-18(24)26-2/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyFXUAUYNFDNIILN-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate

methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate (PubChem CID 133333967) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
PubChem CID133333967
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Namemethyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)CC1
InChIInChI=1S/C19H28N4O3/c1-15-5-7-23(8-6-15)19(25)16-3-4-17(20-13-16)22-11-9-21(10-12-22)14-18(24)26-2/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyFXUAUYNFDNIILN-UHFFFAOYSA-N
XLogP1.25
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
(4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone
CID 133452317
[6-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133337448
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
[6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133344367
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106740
[6-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133334838
[6-[3-(2-hydroxyethoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133315243
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 126776714

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate (CID 133333967) is methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)CC1.
What is the InChIKey of methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate?
The InChIKey is FXUAUYNFDNIILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-15-5-7-23(8-6-15)19(25)16-3-4-17(20-13-16)22-11-9-21(10-12-22)14-18(24)26-2/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate?
methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate has a molecular weight of 360.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate is sourced from PubChem (CID 133333967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).