N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C15H27N3O — CID 104975890

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN[C@H](C)C1)C1=CCCCC1
InChIInChI=1S/C15H27N3O/c1-3-18(14-7-5-4-6-8-14)15(19)12-17-10-9-16-13(2)11-17/h7,13,16H,3-6,8-12H2,1-2H3/t13-/m1/s1
InChIKeyNQSJMOQCBBSWMJ-CYBMUJFWSA-N
MW265.40 g/mol
LogP1.59
Rot. Bonds4

About N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975890) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975890
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN[C@H](C)C1)C1=CCCCC1
InChIInChI=1S/C15H27N3O/c1-3-18(14-7-5-4-6-8-14)15(19)12-17-10-9-16-13(2)11-17/h7,13,16H,3-6,8-12H2,1-2H3/t13-/m1/s1
InChIKeyNQSJMOQCBBSWMJ-CYBMUJFWSA-N
XLogP1.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975890) is N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide is CCN(C(=O)CN1CCN[C@H](C)C1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is NQSJMOQCBBSWMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-18(14-7-5-4-6-8-14)15(19)12-17-10-9-16-13(2)11-17/h7,13,16H,3-6,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).