2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide

C21H33N5O2 — CID 56915849

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(C(=O)CC1C(=O)NCCN1CC1CCCCC1)C1CC1
InChIInChI=1S/C21H33N5O2/c1-24-11-9-22-19(24)15-26(17-7-8-17)20(27)13-18-21(28)23-10-12-25(18)14-16-5-3-2-4-6-16/h9,11,16-18H,2-8,10,12-15H2,1H3,(H,23,28)
InChIKeyFWXXKYQOBFYJIK-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.68
Rot. Bonds7

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 56915849) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID56915849
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(C(=O)CC1C(=O)NCCN1CC1CCCCC1)C1CC1
InChIInChI=1S/C21H33N5O2/c1-24-11-9-22-19(24)15-26(17-7-8-17)20(27)13-18-21(28)23-10-12-25(18)14-16-5-3-2-4-6-16/h9,11,16-18H,2-8,10,12-15H2,1H3,(H,23,28)
InChIKeyFWXXKYQOBFYJIK-UHFFFAOYSA-N
XLogP1.68
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 56915849) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CN(C(=O)CC1C(=O)NCCN1CC1CCCCC1)C1CC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is FWXXKYQOBFYJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-24-11-9-22-19(24)15-26(17-7-8-17)20(27)13-18-21(28)23-10-12-25(18)14-16-5-3-2-4-6-16/h9,11,16-18H,2-8,10,12-15H2,1H3,(H,23,28).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56915849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).