(2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide

C22H38N10O2 — CID 159285681

IUPAC(2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide
SMILESCc1cn(CCNC(=O)[C@H]2CNCCN2)cn1.Cc1cncn1CCNC(=O)[C@H]1CNCCN1
InChIInChI=1S/2C11H19N5O/c1-9-7-16(8-15-9)5-4-14-11(17)10-6-12-2-3-13-10;1-9-6-13-8-16(9)5-4-15-11(17)10-7-12-2-3-14-10/h7-8,10,12-13H,2-6H2,1H3,(H,14,17);6,8,10,12,14H,2-5,7H2,1H3,(H,15,17)/t2*10-/m11/s1
InChIKeyKZMBNXDLANVPGB-IMUCLEIGSA-N
MW474.61 g/mol
LogP-2.26
Rot. Bonds8

About (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide

(2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide (PubChem CID 159285681) has the molecular formula C22H38N10O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide
PubChem CID159285681
Molecular FormulaC22H38N10O2
Molecular Weight474.61 g/mol
Exact Mass474.32
IUPAC Name(2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide
SMILESCc1cn(CCNC(=O)[C@H]2CNCCN2)cn1.Cc1cncn1CCNC(=O)[C@H]1CNCCN1
InChIInChI=1S/2C11H19N5O/c1-9-7-16(8-15-9)5-4-14-11(17)10-6-12-2-3-13-10;1-9-6-13-8-16(9)5-4-15-11(17)10-7-12-2-3-14-10/h7-8,10,12-13H,2-6H2,1H3,(H,14,17);6,8,10,12,14H,2-5,7H2,1H3,(H,15,17)/t2*10-/m11/s1
InChIKeyKZMBNXDLANVPGB-IMUCLEIGSA-N
XLogP-2.26
TPSA141.96 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 5-2.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide (CID 159285681) is (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide is Cc1cn(CCNC(=O)[C@H]2CNCCN2)cn1.Cc1cncn1CCNC(=O)[C@H]1CNCCN1.
What is the InChIKey of (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is KZMBNXDLANVPGB-IMUCLEIGSA-N. The full InChI is InChI=1S/2C11H19N5O/c1-9-7-16(8-15-9)5-4-14-11(17)10-6-12-2-3-13-10;1-9-6-13-8-16(9)5-4-15-11(17)10-7-12-2-3-14-10/h7-8,10,12-13H,2-6H2,1H3,(H,14,17);6,8,10,12,14H,2-5,7H2,1H3,(H,15,17)/t2*10-/m11/s1.
What are the key properties of (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide?
(2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of -2.26, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 159285681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).