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

C21H35N5O2 — CID 56892678

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C21H35N5O2/c1-3-11-26(16-19-22-9-12-24(19)2)20(27)14-18-21(28)23-10-13-25(18)15-17-7-5-4-6-8-17/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3,(H,23,28)
InChIKeyDZPHCMSJBWLDSE-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.93
Rot. Bonds8

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

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide (PubChem CID 56892678) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
PubChem CID56892678
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C21H35N5O2/c1-3-11-26(16-19-22-9-12-24(19)2)20(27)14-18-21(28)23-10-13-25(18)15-17-7-5-4-6-8-17/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3,(H,23,28)
InChIKeyDZPHCMSJBWLDSE-UHFFFAOYSA-N
XLogP1.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide with MolForge

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Related Compounds

2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53571950
N-(dicyclopropylmethyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53572946
N-(dicyclopropylmethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53582451
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
4-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-1,4-dicarboxamide
CID 72150052
1-acetyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
CID 72150073
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
N-(2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-oxoethyl)urea
CID 72904808

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide (CID 56892678) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide is CCCN(Cc1nccn1C)C(=O)CC1C(=O)NCCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
The InChIKey is DZPHCMSJBWLDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-3-11-26(16-19-22-9-12-24(19)2)20(27)14-18-21(28)23-10-13-25(18)15-17-7-5-4-6-8-17/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3,(H,23,28).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide has a molecular weight of 389.54 g/mol, XLogP of 1.93, 8 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-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide is sourced from PubChem (CID 56892678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).