2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide

C20H33N3O2 — CID 100896929

IUPAC2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)C1
InChIInChI=1S/C20H33N3O2/c1-14-4-2-5-15(12-14)21-18(24)13-22-8-10-23(11-9-22)20(25)19-16-6-3-7-17(16)19/h14-17,19H,2-13H2,1H3,(H,21,24)/t14-,15+,16-,17-/m1/s1
InChIKeyCBVJQVLDKORVGS-YYIAUSFCSA-N
MW347.50 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide

2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide (PubChem CID 100896929) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
PubChem CID100896929
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)C1
InChIInChI=1S/C20H33N3O2/c1-14-4-2-5-15(12-14)21-18(24)13-22-8-10-23(11-9-22)20(25)19-16-6-3-7-17(16)19/h14-17,19H,2-13H2,1H3,(H,21,24)/t14-,15+,16-,17-/m1/s1
InChIKeyCBVJQVLDKORVGS-YYIAUSFCSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide with MolForge

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Related Compounds

N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402
N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119876760
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 95172391
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172388
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172406
2-[4-(4-aminopentanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 120565362
N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide
CID 86901724
N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
CID 124842311
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 119876809
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
CID 97254979
N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide (CID 100896929) is 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide is C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)C1.
What is the InChIKey of 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide?
The InChIKey is CBVJQVLDKORVGS-YYIAUSFCSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-14-4-2-5-15(12-14)21-18(24)13-22-8-10-23(11-9-22)20(25)19-16-6-3-7-17(16)19/h14-17,19H,2-13H2,1H3,(H,21,24)/t14-,15+,16-,17-/m1/s1.
What are the key properties of 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide?
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 100896929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).