methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate

C18H24N4O4 — CID 163173658

IUPACmethyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C18H24N4O4/c1-26-18(25)15-12-21(16(23)14-3-2-6-20-11-14)9-10-22(15)17(24)13-4-7-19-8-5-13/h2-3,6,11,13,15,19H,4-5,7-10,12H2,1H3/t15-/m0/s1
InChIKeyWJOVVGDXHIMZSD-HNNXBMFYSA-N
MW360.41 g/mol
LogP-0.09
Rot. Bonds3

About methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate

methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate (PubChem CID 163173658) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
PubChem CID163173658
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Namemethyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C18H24N4O4/c1-26-18(25)15-12-21(16(23)14-3-2-6-20-11-14)9-10-22(15)17(24)13-4-7-19-8-5-13/h2-3,6,11,13,15,19H,4-5,7-10,12H2,1H3/t15-/m0/s1
InChIKeyWJOVVGDXHIMZSD-HNNXBMFYSA-N
XLogP-0.09
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate 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 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783659
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783641
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783658
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
methyl (2R)-2-[[(2S)-1-acetyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 162913099
methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783646
methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 101432816
methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 7127856
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate (CID 163173658) is methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate is COC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCNCC1.
What is the InChIKey of methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
The InChIKey is WJOVVGDXHIMZSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-26-18(25)15-12-21(16(23)14-3-2-6-20-11-14)9-10-22(15)17(24)13-4-7-19-8-5-13/h2-3,6,11,13,15,19H,4-5,7-10,12H2,1H3/t15-/m0/s1.
What are the key properties of methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate?
methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate has a molecular weight of 360.41 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 163173658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).