(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide

C11H19N5O — CID 59884563

IUPAC(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide
SMILESCc1cncn1CCNC(=O)[C@H]1CNCCN1
InChIInChI=1S/C11H19N5O/c1-9-6-13-8-16(9)5-4-15-11(17)10-7-12-2-3-14-10/h6,8,10,12,14H,2-5,7H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyBLQLVXRGUWDRJP-SNVBAGLBSA-N
MW237.31 g/mol
LogP-1.13
Rot. Bonds4

About (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide

(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide (PubChem CID 59884563) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide
PubChem CID59884563
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide
SMILESCc1cncn1CCNC(=O)[C@H]1CNCCN1
InChIInChI=1S/C11H19N5O/c1-9-6-13-8-16(9)5-4-15-11(17)10-7-12-2-3-14-10/h6,8,10,12,14H,2-5,7H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyBLQLVXRGUWDRJP-SNVBAGLBSA-N
XLogP-1.13
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide (CID 59884563) is (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide is Cc1cncn1CCNC(=O)[C@H]1CNCCN1.
What is the InChIKey of (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is BLQLVXRGUWDRJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9-6-13-8-16(9)5-4-15-11(17)10-7-12-2-3-14-10/h6,8,10,12,14H,2-5,7H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 59884563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).