methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

C16H28N4O4 — CID 7161665

IUPACmethyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C16H28N4O4/c1-11(2)18-16(23)19-8-9-20(13(10-19)15(22)24-3)14(21)12-4-6-17-7-5-12/h11-13,17H,4-10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyUWSYANXMEXHSOF-CYBMUJFWSA-N
MW340.42 g/mol
LogP-0.21
Rot. Bonds3

About methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate (PubChem CID 7161665) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
PubChem CID7161665
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Namemethyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C16H28N4O4/c1-11(2)18-16(23)19-8-9-20(13(10-19)15(22)24-3)14(21)12-4-6-17-7-5-12/h11-13,17H,4-10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyUWSYANXMEXHSOF-CYBMUJFWSA-N
XLogP-0.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
CID 7161630
Ethyl 3-{[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino}propanoate
CID 124053392
methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 7664022
Methyl 3-methyl-2-({4-[2-oxo-2-(piperidin-1-YL)ethyl]piperidine-1-carbonyl}amino)butanoate
CID 53057881
ethyl N-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undec-9-yl)carbonyl]alaninate
CID 56741563
Ethyl 3-methyl-2-[[3-(2-methylpropyl)-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]amino]butanoate
CID 21926434
ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate
CID 58635529
Ethyl 2-[[3-(2-methylpropyl)-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]amino]acetate
CID 69840056
CID 89208019
CID 89208019
methyl (2S)-4-methyl-2-[[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]amino]pentanoate
CID 126483363
Methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride
CID 139782742
1-O-tert-butyl 2-O-methyl (2S)-4-(piperidine-4-carbonyl)piperazine-1,2-dicarboxylate
CID 152494225

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate (CID 7161665) is methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate is COC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCNCC1.
What is the InChIKey of methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
The InChIKey is UWSYANXMEXHSOF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-11(2)18-16(23)19-8-9-20(13(10-19)15(22)24-3)14(21)12-4-6-17-7-5-12/h11-13,17H,4-10H2,1-3H3,(H,18,23)/t13-/m1/s1.
What are the key properties of methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate?
methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate has a molecular weight of 340.42 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate is sourced from PubChem (CID 7161665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).