methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate

C17H26N4O3 — CID 90648666

IUPACmethyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N1CCC(c2[nH]ncc2C)CC1
InChIInChI=1S/C17H26N4O3/c1-12-11-18-19-15(12)13-6-9-20(10-7-13)16(22)14-5-3-4-8-21(14)17(23)24-2/h11,13-14H,3-10H2,1-2H3,(H,18,19)
InChIKeyBODPBSKPOJERJC-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.05
Rot. Bonds2

About methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate

methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 90648666) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID90648666
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Namemethyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N1CCC(c2[nH]ncc2C)CC1
InChIInChI=1S/C17H26N4O3/c1-12-11-18-19-15(12)13-6-9-20(10-7-13)16(22)14-5-3-4-8-21(14)17(23)24-2/h11,13-14H,3-10H2,1-2H3,(H,18,19)
InChIKeyBODPBSKPOJERJC-UHFFFAOYSA-N
XLogP2.05
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-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 (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95817389
methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 134793006
(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 77087187
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
(3,5-difluorophenyl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124977219
methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 97274984
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
methyl 2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)piperidine-1-carboxylate
CID 72885038
methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97201426
methyl 2-[4-(2-methylpyrimidin-4-yl)-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate
CID 138381263

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate (CID 90648666) is methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)N1CCC(c2[nH]ncc2C)CC1.
What is the InChIKey of methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is BODPBSKPOJERJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-11-18-19-15(12)13-6-9-20(10-7-13)16(22)14-5-3-4-8-21(14)17(23)24-2/h11,13-14H,3-10H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate?
methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 90648666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).