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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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).